SCHEMBL7233275

SCHEMBL7233275

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(-c2ccc(F)nc2)s1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.40
USP30 Q70CQ3 1/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
ULK1 O75385 1/20 0.37
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL7225106 0.91 DGAT1 (0.44) DGAT1USP30CHRNB2CHRNA4ULK1
SCHEMBL7231136 0.88 DGAT1 (0.41) DGAT1USP30CHRNB2CHRNA4
SCHEMBL7225968 0.88 USP30 (0.43) DGAT1USP30CHRNB2CHRNA4ULK1
SCHEMBL7232956 0.87 DGAT1 (0.41) DGAT1USP30CHRNB2CHRNA4
SCHEMBL7232544 0.87 DGAT1 (0.44) DGAT1USP30CHRNB2CHRNA4ULK1
SCHEMBL7226585 0.87 DGAT1 (0.41) DGAT1USP30
SCHEMBL7234821 0.87 HDAC1 (0.43) DGAT1USP30CHRNB2CHRNA4
SCHEMBL7233420 0.87 USP30 (0.43) DGAT1USP30
SCHEMBL7235102 0.87 USP30 (0.52) DGAT1USP30CHRNB2CHRNA4
SCHEMBL7225214 0.86 USP30 (0.39) DGAT1USP30CHRNB2CHRNA4ULK1

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