SCHEMBL12101340

SCHEMBL12101340

CO[C@@H]1CC(C(=O)Nc2ccc3c(c2)CCN(C)C3C)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.52
▸ KLKB1 P03952 1/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ CFD P00746 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ DRD1 P21728 1/20 0.39
▸ EP300 Q09472 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37

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 1.00 F10 (0.52) F10KLKB1KMT2ACFDPOLB
SCHEMBL8227386 1.00 F10 (0.52) F10KLKB1KMT2ACFDPOLB
SCHEMBL12101360 0.93 F10 (0.52) F10KLKB1KMT2ACFDPOLB
SCHEMBL8225736 0.91 F10 (0.43) F10KLKB1KMT2ACFDPOLB
SCHEMBL12101342 0.91 F10 (0.43) F10KLKB1KMT2ACFDPOLB
SCHEMBL12101341 0.91 F10 (0.43) F10KLKB1KMT2ACFDPOLB
SCHEMBL13104189 0.90 F10 (0.54) F10KLKB1CFDTSHRDRD1
SCHEMBL12371436 0.89 F10 (0.49) F10KLKB1KMT2ACFDPOLB
SCHEMBL12371437 0.89 F10 (0.49) F10KLKB1KMT2ACFDPOLB
SCHEMBL8471226 0.87 F10 (0.54) F10KLKB1KMT2ACFDPOLB

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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