SCHEMBL7224430

SCHEMBL7224430

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccccn2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.40
GRM5 P41594 1/20 0.37
BCAT2 O15382 4/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL7225273 0.86 GRM5 (0.32) CHRNA7GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL7230402 0.84 SLC6A2 (0.34) ALDH1A1NPC1RAB9AHPGD
SCHEMBL7233041 0.84 SLC6A4 (0.34) CHRNA7KMT2AALDH1A1HPGDMEN1
SCHEMBL7234073 0.84 CHRNB2 (0.34) CHRNA7KMT2ANPC1RAB9AMAPT
SCHEMBL7231965 0.84 CHRNA7 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7231859 0.82 HDAC3 (0.34) CHRNA7BCAT2ALDH1A1L3MBTL1HDAC3
SCHEMBL7225636 0.82 CHRNA7 (0.34) CHRNA7BCAT2KMT2AALDH1A1NPC1
SCHEMBL7232569 0.82 NPC1 (0.34) NPC1RAB9A
SCHEMBL7223174 0.82 CHRNA7 (0.33) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL374986 0.81 CHRNA7 (0.60) CHRNA7BCAT2NPC1RAB9AMAPT

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