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SCHEMBL695432

SCHEMBL695432

CCN(CC)[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5C(=O)C(C)(C)C)[nH]4)cn3)cc2)[nH]1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.67
▸ PRCP P42785 7/20 0.51
▸ HPGDS O60760 4/20 0.47
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL19548079 0.92 KCNH2 (0.71) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL690397 0.92 KCNH2 (0.71) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL692686 0.92 KCNH2 (0.74) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL719793 0.91 KCNH2 (0.68) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL2586059 0.90 KCNH2 (0.65) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL2586065 0.90 KCNH2 (0.65) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL692685 0.90 KCNH2 (0.70) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL16105833 0.89 KCNH2 (0.67) KCNH2PRCPHPGDSOPRM1OPRD1
SCHEMBL1745300 0.89 KCNH2 (0.82) KCNH2PRCPOPRM1OPRD1CYP3A4
SCHEMBL692267 0.89 KCNH2 (0.68) KCNH2PRCPHPGDSOPRM1OPRD1

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
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 — — EP disclosed