SCHEMBL3823337

SCHEMBL3823337

Cc1nnnn1-c1ccc(OCF)c(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KCNN4 O15554 1/20 0.38
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4205532 0.84 ATM (0.45) NOTUMLMNACA12CA9ATM
SCHEMBL3821496 0.83 TACR1 (0.37)
SCHEMBL13743012 0.78 NOTUM (0.47) NOTUMLMNACA12CA9KCNN4
SCHEMBL13637918 0.78 LMNA (0.45) LMNAGAA
SCHEMBL4201299 0.76 ALDH1A1 (0.52) NOTUMLMNACA12CA9ATM
SCHEMBL3814197 0.76 LMNA (0.47) NOTUMLMNACA12CA9KCNN4
SCHEMBL13742929 0.76 NOTUM (0.47) NOTUMLMNACA12CA9KCNN4
SCHEMBL4203119 0.75 TACR1 (0.43) LMNA
SCHEMBL8322001 0.73 TACR1 (0.38)
SCHEMBL4205207 0.72 TACR1 (0.44) LMNAATMGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119356-B1 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-08-19 EP disclosed
US-6241964-B1 (F18)(2-FLUOROMETHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOLE-1-YL) -BENZYL)-((2S,3S)-2-PHENYL-PIPERIDINE-3-YL)-AMINE OR SALT; HUMAN BRAIN TISSUE IMAGING USING POSITRON EMISSION TOMOGRAPHY MERCK & CO., INC. 2001-06-05 US disclosed