SCHEMBL7225636

SCHEMBL7225636

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nccs2)s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.34
HTR3E A5X5Y0 4/20 0.33
HTR3B O95264 4/20 0.33
HTR3A P46098 4/20 0.33
HTR3D Q70Z44 4/20 0.33
HTR3C Q8WXA8 4/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BCAT2 O15382 1/20 0.30

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
SCHEMBL7233218 0.84 HPGD (0.34) HPGD
SCHEMBL7229680 0.83 HPGD (0.36) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7234464 0.83 F10 (0.34) CHRNA7RAB9AMEN1KMT2AALDH1A1
SCHEMBL7225000 0.83 NPC1 (0.34) CHRNA7NPC1RAB9AMEN1KMT2A
SCHEMBL7231438 0.83 CHRNB2 (0.31) CHRNA7MEN1KMT2AALDH1A1HPGD
SCHEMBL7224349 0.83 ALDH1A1 (0.35) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7231859 0.82 HDAC3 (0.34) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7225018 0.82 SLC6A4 (0.33) CHRNA7
SCHEMBL7224430 0.82 CHRNA7 (0.40) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7115104 0.82 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D

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