SCHEMBL8916137

SCHEMBL8916137

CC1(C)Oc2ccc(C#N)cc2[C@H](N[C@H](Cc2ccccc2)C(N)=O)[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 14/20 0.76
▸ ABCC9 O60706 5/20 0.56
▸ CYP3A4 P08684 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL8918792 1.00 ABCB1 (0.76) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8917500 0.83 ABCB1 (0.66) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8916121 0.83 ABCB1 (0.64) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8918797 0.83 ABCB1 (0.64) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8918787 0.83 ABCB1 (0.64) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8916140 0.83 ABCB1 (0.64) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9269639 0.79 ABCB1 (0.70) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9269632 0.79 ABCB1 (0.70) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9269643 0.79 ABCB1 (0.70) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL8918715 0.79 ABCB1 (0.75) ABCB1ABCC9

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-5612370-A Phenylglycine and phenylalaninen amido benzopyran derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 — — US claimed
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