SCHEMBL12101341

SCHEMBL12101341

Bc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)Nc2ccc3c(c2)CCN(C)[C@H]3C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ CFD P00746 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KLKB1 P03952 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8222144 0.91 F10 (0.52) F10KMT2ACFDNPC1POLB
SCHEMBL12101342 0.91 F10 (0.43) F10KMT2ACFDNPC1POLB
SCHEMBL8225736 0.91 F10 (0.43) F10KMT2ACFDNPC1POLB
SCHEMBL12101340 0.91 F10 (0.52) F10KMT2ACFDNPC1POLB
SCHEMBL8227386 0.91 F10 (0.52) F10KMT2ACFDNPC1POLB
SCHEMBL14434669 0.89 F10 (0.41) F10KMT2ACFDNPC1POLB
SCHEMBL15436156 0.88 F10 (0.43) F10KMT2ACFDNPC1POLB
SCHEMBL14434247 0.88 F10 (0.43) F10KMT2ACFDNPC1POLB
SCHEMBL14434254 0.87 F10 (0.42) F10KMT2ACFDNPC1POLB
SCHEMBL12101413 0.85 F10 (0.43) F10CFDNPC1KLKB1TSHR

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-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP disclosed
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