SCHEMBL7010148

SCHEMBL7010148

CN(C)c1ccnc2c1nnn2O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SLC40A1 Q9NP59 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
CDK8 P49336 1/20 0.31
CDK19 Q9BWU1 1/20 0.31

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
SCHEMBL17926602 0.79 GRM1 (0.36) SMPD3GRM5GRM1ENPP3ENPP1
SCHEMBL6611594 0.77 CCR1 (0.38) LMNAMAPTKDM4EHTT
SCHEMBL31096943 0.76 LMNA (0.33) LMNAMAPTKDM4EALDH1A1
SCHEMBL23331997 0.68 ADORA1 (0.42) SMPD3GRM5GRM1KDM4EALDH1A1
SCHEMBL9062564 0.67 LMNA (0.31) LMNAMAPT
SCHEMBL10328322 0.67 GRM1 (0.39) GRM5GRM1LMNAKDM4EALDH1A1
SCHEMBL25098010 0.67 SMPD3 (0.34) SMPD3GRM5GRM1KDM4EALDH1A1
SCHEMBL23697044 0.67 SMPD3 (0.34) SMPD3GRM5GRM1KDM4EALDH1A1
SCHEMBL24896144 0.64 GRM1 (0.33) SMPD3GRM5GRM1ENPP3ENPP1
SCHEMBL18510385 0.64 ADORA2A (0.46) GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662078-B1 REAGENTS FOR PEPTIDE COUPLINGS RES CORP TECHNOLOGIES INC (US) 2003-05-02 EP disclosed
US-RE38073-E1 Biosynthesis; using dehydration agent RESEARCH CORPORATIONS TECHNOLOGIES, INC. 2003-04-08 US disclosed
US-RE37686-E1 Azahydroxybenzotriazoles and derivatives thereof for peptide coupling reactions RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-04-30 US disclosed
US-5698675-A AMIDATION; ESTERIFICATION RESEARCH CORPORATION TECH., INC. (US) 1997-12-16 US disclosed
US-5644029-A TRIAZOLO-PYRIDINE HETEROCYCLIC COMPOUNDS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-07-01 US disclosed
US-5580981-A YELLOW INDICATORS FADING TO COLORLESS UPON COMPLETION OF THE ACYLATION STEP IN AMIDE FORMATION; REACTION ACCELERATORS; LOWERS RACEMIZATION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-12-03 US disclosed
WO-1994007910-A1 NEW REAGENTS FOR PEPTIDE COUPLINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-04-14 WO disclosed