SCHEMBL8601160

SCHEMBL8601160

N#CCCCCn1cc(C(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.51
▸ CNR1 P21554 8/20 0.50
▸ CCNT1 O60563 2/20 0.49
▸ CDK9 P50750 2/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30417869 0.84 CNR2 (0.56) CNR2CNR1CCNT1CDK9CCNA2
SCHEMBL8598804 0.84 CNR2 (0.56) CNR2CNR1CCNT1CDK9CCNA2
SCHEMBL28968451 0.80 CNR2 (0.60) CNR2CNR1CCNT1CDK9CCNA2
SCHEMBL8960027 0.79 CNR1 (0.66) CNR2CNR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL16344147 0.76 CNR2 (0.73) CNR2CNR1
SCHEMBL29387064 0.76 CNR2 (0.73) CNR2CNR1
SCHEMBL9354163 0.73 CAMK2D (0.49) CNR2CNR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL8959906 0.73 CNR2 (0.57) CNR2CNR1ALDH1A1TSHRL3MBTL1
SCHEMBL12481181 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL12480322 0.72 CREBBP (0.52) ALDH1A1SMN1; SMN2TSHRL3MBTL1

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-5708016-A Pseudopeptides derived from neurokinins ADIR ET COMPAGNIE (FR) 1998-01-13 — — US disclosed
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