Sugi Predict

Sugi Predict / Compounds / SCHEMBL19334175

SCHEMBL19334175

SCHEMBL19334175

O=C(OCc1ccccc1)c1nc([C@@H]2CCCN2C(=O)Cc2ccccc2)[nH]c1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4C(=O)Cc4ccccc4)[nH]3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 11/20 0.54
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL19334238 0.93 PRCP (0.57) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL19334146 0.91 PRCP (0.57) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1746174 0.88 PRCP (0.52) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL19334157 0.86 PRCP (0.57) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12175086 0.86 KCNH2 (0.64) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1747400 0.86 KCNH2 (0.64) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL12159721 0.86 KCNH2 (0.64) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL19334244 0.86 PRCP (0.48) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL13748031 0.86 PRCP (0.41) PRCPCYP3A4CYP2C9KCNH2NR1I2
SCHEMBL1747409 0.85 PRCP (0.69) PRCPCYP3A4CYP2C9KCNH2NR1I2

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