Sugi Predict

Sugi Predict / Compounds / SCHEMBL7032459

SCHEMBL7032459

SCHEMBL7032459

C[C@@H]1[C@H](c2cccc(Cl)c2)C[C@H](NC(=O)c2ccc3c(c2)C[C@@]2(C3)C(=O)NC3=C2C=CCN3)C(=O)N1CC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 18/20 0.53
▸ RAMP1 O60894 16/20 0.53
▸ KDM1A O60341 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MDM2 Q00987 1/20 0.31

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
SCHEMBL15228057 0.84 CALCRL (0.74) CALCRLRAMP1
SCHEMBL15227820 0.84 CALCRL (0.74) CALCRLRAMP1
SCHEMBL5020104 0.83 CALCRL (0.74) CALCRLRAMP1
SCHEMBL5020159 0.78 CALCRL (0.74) CALCRLRAMP1
SCHEMBL7030758 0.77 CALCRL (0.85) CALCRLRAMP1
SCHEMBL3698148 0.74 RAMP1 (0.45) CALCRLRAMP1TP53MDM2
SCHEMBL15227809 0.74 RAMP1 (0.45) CALCRLRAMP1TP53MDM2
SCHEMBL26619367 0.74 RAMP1 (0.45) CALCRLRAMP1TP53MDM2
SCHEMBL16421405 0.71 CALCRL (0.78) CALCRLRAMP1
SCHEMBL5020071 0.70 CALCRL (0.64) CALCRLRAMP1

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
WO-2012064911-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 — — WO disclosed
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