SCHEMBL9589632

SCHEMBL9589632

[CH2]C(Cc1ccccc1)NC(=O)N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.58
▸ CHRM1 P11229 4/20 0.57
▸ CTSL P07711 2/20 0.53
▸ POLB P06746 5/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ CTSB P07858 2/20 0.49
▸ CTSS P25774 1/20 0.49

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
SCHEMBL9588899 1.00 HSD17B10 (0.58) HSD17B10CHRM1CTSLPOLBCYP3A4
SCHEMBL9587928 0.87 CYP3A4 (0.53) HSD17B10CHRM1POLBCYP3A4CYP2D6
SCHEMBL9587576 0.86 MEN1 (0.57) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9588605 0.86 CHRM1 (0.59) HSD17B10CHRM1POLBCYP3A4CYP2D6
SCHEMBL9587002 0.86 KDM4E (0.61) HSD17B10CHRM1POLBCYP3A4CYP2D6
SCHEMBL9598169 0.85 HTT (0.64) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9587878 0.85 CYP3A4 (0.66) HSD17B10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9587944 0.83 POLB (0.51) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7266885 0.83 POLB (0.74) HSD17B10CHRM1CTSLPOLBCYP3A4
SCHEMBL27230807 0.83 POLB (0.74) HSD17B10CHRM1CTSLPOLBCYP3A4

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-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 — — US disclosed
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