SCHEMBL9956161

SCHEMBL9956161

CC1CC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 1.00
RAB9A P51151 5/20 0.78
ALDH1A1 P00352 4/20 0.78
NPC1 O15118 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
USP2 O75604 1/20 0.78
KDM4E B2RXH2 3/20 0.74
HPGD P15428 2/20 0.74
NLRP3 Q96P20 1/20 0.72
MAOB P27338 5/20 0.67
MAOA P21397 1/20 0.67
STAT1 P42224 1/20 0.62
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL10025797 0.87 RAB9A (1.00) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL9955883 0.86 RAB9A (0.78) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL9956150 0.86 GRM5 (1.00) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10025784 0.86 RAB9A (1.00) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL9954910 0.84 GRM5 (0.77) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL9955465 0.82 RAB9A (0.80) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL9955316 0.81 GRM5 (1.00) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL23657061 0.80 GRM5 (0.95) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL9955475 0.80 GRM5 (1.00) GRM5RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL9956638 0.79 GRM5 (1.00) GRM5RAB9AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed