SCHEMBL9954964

SCHEMBL9954964

CC1CC(=O)c2cnc(Nc3ccc(C#N)c(F)c3)nc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 1.00
MAOB P27338 3/20 0.70
RAB9A P51151 5/20 0.61
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
USP2 O75604 1/20 0.61
HPGD P15428 2/20 0.61
KDM4E B2RXH2 2/20 0.61
NLRP3 Q96P20 1/20 0.60
STAT1 P42224 1/20 0.60
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9956279 0.83 GRM5 (1.00) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL10025793 0.81 GRM5 (0.80) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL9954910 0.81 GRM5 (0.77) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL9955883 0.80 RAB9A (0.78) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL9955588 0.80 GRM5 (0.70) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL9955087 0.77 GRM5 (0.80) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL9956150 0.77 GRM5 (1.00) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL10025784 0.77 RAB9A (1.00) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL10025797 0.76 RAB9A (1.00) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL9953953 0.76 GRM5 (1.00) GRM5MAOBRAB9AALDH1A1NPC1

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