SCHEMBL9588540

SCHEMBL9588540

[CH2][C@@H](Cc1ccccc1)NC(=O)N1CCCNCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.47
▸ GAA P10253 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9587944 0.95 POLB (0.51) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL7298454 0.83 CTRB1 (0.50) POLBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9588899 0.79 HSD17B10 (0.58) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL9589632 0.79 HSD17B10 (0.58) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL9587878 0.78 CYP3A4 (0.66) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL9587002 0.77 KDM4E (0.61) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL9587576 0.77 MEN1 (0.57) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL9588605 0.77 CHRM1 (0.59) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL7306380 0.77 CTRB1 (0.55) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL9598169 0.76 HTT (0.64) POLBGAACYP3A4CYP2D6CYP2C9

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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