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SCHEMBL19334077

SCHEMBL19334077

O=C(Cc1ccccc1)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4[nH]c([C@@H]5CCCN5C(=O)Cc5ccccc5)nc4C(F)(F)F)cc3)cc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 11/20 0.56
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ KCNH2 Q12809 2/20 0.45
▸ NR1I2 O75469 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ OPRK1 P41145 1/20 0.44

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
SCHEMBL19334153 0.89 KCNH2 (0.62) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1747409 0.88 PRCP (0.69) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL3347678 0.86 PRCP (0.48) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL19334162 0.85 PRCP (0.50) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL13748645 0.84 PRCP (0.68) PRCPCYP3A4CYP2C9CYP1A2KCNH2
SCHEMBL1747545 0.84 PRCP (0.50) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL4512528 0.84 PRCP (0.47) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL19334157 0.84 PRCP (0.57) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL19334146 0.84 PRCP (0.57) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL19334175 0.83 PRCP (0.54) PRCPCYP3A4CYP2C9CYP1A2KCNH2

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-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed