SCHEMBL7223501

SCHEMBL7223501

CC(=O)c1ccccc1-c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7231903 0.91 NPC1 (0.39) RAB9ANPC1KMT2AALDH1A1NPSR1
SCHEMBL7233102 0.87 ALDH1A1 (0.49) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7226523 0.86 SMN1; SMN2 (0.42) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7234830 0.86 RAB9A (0.42) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL7232158 0.85 ALDH1A1 (0.50) RAB9ANPC1TDP1MAPTALDH1A1
SCHEMBL7224300 0.85 RAB9A (0.40) RAB9ANPC1TDP1MAPTKMT2A
SCHEMBL7225840 0.85 RAB9A (0.41) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL7072612 0.85 RAB9A (0.49) RAB9ANPC1TDP1MAPTKMT2A
SCHEMBL7231145 0.85 SLC9A1 (0.44) RAB9ANPC1NPSR1HTR3EHTR3B
SCHEMBL7226764 0.85 RAB9A (0.53) RAB9ANPC1TDP1MAPTKMT2A

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