SCHEMBL8535701

SCHEMBL8535701

COc1cccc2c1CCC(CCCC(=O)N1CCCC1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HTR2C P28335 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL8536592 0.99 CYP19A1 (0.50) CYP19A1LMNAKDM4EPOLBMAPT
SCHEMBL8531164 0.96 CYP19A1 (0.49) CYP19A1LMNAKDM4EPOLBMAPT
SCHEMBL8531749 0.93 CYP19A1 (0.52) CYP19A1LMNAKDM4EPOLBMAPT
SCHEMBL8531854 0.85 CYP19A1 (0.60) CYP19A1LMNAKDM4EPOLBMAPT
SCHEMBL8536549 0.81 CYP19A1 (0.58) CYP19A1LMNAKDM4EPOLBMAPT
SCHEMBL8536631 0.81 HTR2C (0.52) CYP19A1HTR2CKMT2ACHRM2CHRM4
SCHEMBL7166102 0.81 CYP19A1 (0.57) CYP19A1LMNAKDM4EPOLBMAPT
SCHEMBL8532071 0.80 ACHE (0.52) CYP19A1HTR2CKMT2ACHRM2CHRM4
SCHEMBL8535560 0.80 CYP19A1 (0.62) CYP19A1LMNAKDM4EPOLBMAPT
SCHEMBL9343214 0.80 CYP19A1 (0.61) CYP19A1LMNAKDM4EPOLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847159-A 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-12-08 US disclosed
EP-0825180-A1 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-02-25 EP disclosed