SCHEMBL10696071

SCHEMBL10696071

COc1ccc(C(C)N(C)CCCC(C#N)(Sc2ccccc2)c2cccc(C(F)(F)F)c2)c2c1N(C(C)=O)CCC2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 1/20 0.31
▸ TRIM24 O15164 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31
▸ GFER P55789 1/20 0.30

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
SCHEMBL9666606 0.93 TSHR (0.30) —
SCHEMBL10691939 0.92 ABCB1 (0.35) —
SCHEMBL10688684 0.86 KMT2A (0.31) —
SCHEMBL10696062 0.86 ABCB1 (0.33) SLC6A1TRIM24ERAP1GFER
SCHEMBL10695887 0.86 ABCB1 (0.34) —
SCHEMBL10693262 0.85 ABCB1 (0.34) —
SCHEMBL10697691 0.85 — —
SCHEMBL9668732 0.79 ABCB1 (0.42) —
SCHEMBL10691936 0.78 ABCB1 (0.40) —
SCHEMBL9666854 0.77 POLB (0.31) —

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-4792559-A 1,2,3,4-tetrahydroquinoline substituted 5-aminopentanenitrile compounds and their use as calcium modulators ADIR ET COMPAGNIE (FR) 1988-12-20 — — US disclosed
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