SCHEMBL8501910

SCHEMBL8501910

CCCc1cccc(OCCNC)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
HTR1B P28222 2/20 0.56
HTR1D P28221 1/20 0.56
CYP2D6 P10635 6/20 0.49
KCNH2 Q12809 2/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
ACHE P22303 2/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
NSD2 O96028 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2907365 0.87 CHRM2 (0.66) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL17303741 0.87 KDM4E (0.60) CHRM2CHRM1CHRM3HTR1BHTR1D
SCHEMBL20231376 0.86 CYP2D6 (0.50) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL2911384 0.86 CHRM2 (0.64) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL12377082 0.84 CHRM2 (0.54) CHRM2CHRM1CHRM3HTR1BCYP2D6
SCHEMBL13862383 0.84 HTR1B (0.62) CHRM2CHRM1CHRM3HTR1BHTR1D
SCHEMBL11563913 0.84 CHRM2 (0.62) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL25821832 0.83 CYP2D6 (0.57) CHRM2CHRM1CHRM3HTR1BCYP2D6
SCHEMBL19604802 0.83 KDM4E (0.51) CHRM2CHRM1CHRM3CYP2D6KCNH2
SCHEMBL14382693 0.83 CYP2D6 (0.57) CYP2D6KCNH2CNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 WO disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 WO disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 WO disclosed
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 WO disclosed
WO-2018119448-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018118598-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF FETAL LIVER KINASE POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018119357-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed