SCHEMBL7223552

SCHEMBL7223552

Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)sc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
XIAP P98170 1/20 0.38
MAPT P10636 3/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL7230824 0.88 CHRNB2 (0.39) NPC1RAB9AMEN1KMT2A
SCHEMBL7224821 0.88 CTSK (0.37)
SCHEMBL7230427 0.88 CNR1 (0.36) NPC1RAB9AMEN1KMT2AHTR3E
SCHEMBL7223372 0.88 RIPK1 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7233563 0.86 HCRTR1 (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7232879 0.86 CHRM4 (0.41) NPC1RAB9AHTR3EHTR3BHTR3A
SCHEMBL7231066 0.85 KDM4E (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7230321 0.82 ALDH1A1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7226905 0.80 HPGD (0.54) NPC1MAPTHTR3EHTR3BHTR3A
SCHEMBL7235102 0.80 USP30 (0.52) CHRNA7USP30

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