SCHEMBL12812349

SCHEMBL12812349

NC(=O)N1CCCC[C@@H](c2cccc(F)c2F)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.44
CALCRL Q16602 3/20 0.42
PROKR1 Q8TCW9 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RIPK1 Q13546 1/20 0.38
TP53 P04637 1/20 0.38
PDE2A O00408 1/20 0.37
NAMPT P43490 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
SCHEMBL12812347 0.81 HCRTR2 (0.41) CALCRLTP53
SCHEMBL27812606 0.76 HTR2C (0.39) CALCRLPROKR1
SCHEMBL5553751 0.75 CALCRL (0.41) HPGDCALCRL
SCHEMBL9233206 0.74 HTR2C (0.43) TP53
SCHEMBL29691690 0.74 HTR2C (0.43) TP53
SCHEMBL12812342 0.74 HCRTR2 (0.42) HPGDCALCRLTP53
SCHEMBL30663898 0.73 RBP4 (0.47) HPGDCALCRLKMT2AMEN1
SCHEMBL1822869 0.72 CALCRL (0.40) HPGDCALCRL
SCHEMBL28247605 0.72 HTR2C (0.44) TP53
SCHEMBL12812353 0.70 CALCRL (0.45) LMNACALCRLKMT2A

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-1804919-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2011-03-30 EP disclosed