SCHEMBL9956638

SCHEMBL9956638

CC1CC(=O)c2cnc(Nc3ccc(Cl)cn3)nc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 12/20 1.00
▸ RAB9A P51151 5/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ HPGD P15428 2/20 0.63
▸ MAOB P27338 3/20 0.62
▸ STAT1 P42224 1/20 0.58
▸ KMT2A Q03164 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ NLRP3 Q96P20 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ LMNA P02545 1/20 0.49

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
SCHEMBL9955983 0.87 GRM5 (0.77) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL9956150 0.85 GRM5 (1.00) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL9956728 0.83 GRM5 (0.76) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL9956161 0.79 GRM5 (1.00) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL9955316 0.79 GRM5 (1.00) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL10025784 0.78 RAB9A (1.00) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL10025793 0.76 GRM5 (0.80) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL9955087 0.76 GRM5 (0.80) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL9955979 0.75 GRM5 (0.76) GRM5RAB9AALDH1A1NPC1KDM4E
SCHEMBL9955465 0.75 RAB9A (0.80) GRM5RAB9AALDH1A1NPC1KDM4E

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
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