SCHEMBL541938

SCHEMBL541938

CCn1cc(-c2ccc(C(F)(F)F)cc2)c2cc(CNC(C)c3ccccc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.61
PPARG P37231 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGES O14684 1/20 0.38

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
SCHEMBL541645 1.00 CASR (0.61) CASRPPARGSMN1; SMN2PDE4APDE4B
SCHEMBL541461 0.91 CASR (0.47) CASRSMN1; SMN2MEN1KMT2A
SCHEMBL541235 0.91 CASR (0.47) CASRSMN1; SMN2MEN1KMT2A
SCHEMBL3946612 0.90 CASR (0.49) CASRPPARGSMN1; SMN2PDE4APDE4B
SCHEMBL542073 0.90 CASR (0.49) CASRPPARGSMN1; SMN2PDE4APDE4B
SCHEMBL541602 0.87 CASR (0.55) CASRPPARGSMN1; SMN2MEN1KMT2A
SCHEMBL541603 0.87 CASR (0.55) CASRPPARGSMN1; SMN2MEN1KMT2A
SCHEMBL541858 0.86 CASR (0.46) CASRPPARGPTGES
SCHEMBL541327 0.86 CASR (0.46) CASRPPARGPTGES
SCHEMBL541529 0.84 CASR (0.43) CASRPPARGSMN1; SMN2MEN1KMT2A

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-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP claimed