SCHEMBL7224924

SCHEMBL7224924

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(-c2ccc(F)cc2F)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.41
ACKR3 P25106 4/20 0.39
CHEK1 O14757 5/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL7225526 0.88 DGAT1 (0.39) DGAT1CHEK1
SCHEMBL7225106 0.85 DGAT1 (0.44) DGAT1SLC6A3HDAC1HDAC6
SCHEMBL7230609 0.84 DGAT1 (0.38) DGAT1SLC6A3
SCHEMBL7225968 0.84 USP30 (0.43) DGAT1CHEK1
SCHEMBL7226438 0.84 CTSS (0.36) DGAT1
SCHEMBL7224688 0.84 SLC6A3 (0.36) DGAT1SLC6A3
SCHEMBL7233275 0.83 DGAT1 (0.40) DGAT1
SCHEMBL7232544 0.83 DGAT1 (0.44) DGAT1CHEK1
SCHEMBL7227071 0.83 HDAC3 (0.44) ACKR3SLC6A3HDAC3HDAC4HDAC1
SCHEMBL7226214 0.82 NPC1 (0.38) SLC6A3

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