SCHEMBL7225131

SCHEMBL7225131

Cc1ccc(-c2ccc(-c3ccc(C(=O)N[C@@H]4C[C@H]5CC[C@@H]4N5)o3)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MMP13 P45452 2/20 0.42
POLB P06746 1/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 3/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL7075008 0.92 MMP13 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7077992 0.92 MMP13 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7232692 0.92 NPC1 (0.42) ALDH1A1KDM4EMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7075860 0.91 MMP13 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7226523 0.89 SMN1; SMN2 (0.42) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7232663 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7233288 0.89 NPC1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7223162 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7232288 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7233285 0.88 MMP13 (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1

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-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed