SCHEMBL11248979

SCHEMBL11248979

CO[C@H]1CC(NC(=O)c2ccc(Br)cc2C)C(N2CCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
USP30 Q70CQ3 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL11248964 1.00 CHRNA7 (0.39) CHRNA7USP30NPSR1FLT1FLT4
SCHEMBL423431 0.82 CHRNA7 (0.51) CHRNA7
SCHEMBL423432 0.82 CHRNA7 (0.51) CHRNA7
SCHEMBL423433 0.82 CHRNA7 (0.51) CHRNA7
SCHEMBL11248950 0.70 TAAR1 (0.39) CHRNA7ALDH1A1HPGDMEN1KMT2A
SCHEMBL11248932 0.70 TAAR1 (0.39) CHRNA7ALDH1A1HPGDMEN1KMT2A
SCHEMBL6908735 0.69 SIGMAR1 (0.43) CHRNA7
SCHEMBL423785 0.68 F10 (0.57) FLT1FLT4KDRALDH1A1
SCHEMBL423786 0.68 F10 (0.57) FLT1FLT4KDRALDH1A1
SCHEMBL10153765 0.68 F10 (0.57) FLT1FLT4KDRALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360531-A Substituted cycloalkanes THE UPJOHN COMPANY (US) 1982-11-23 US disclosed