SCHEMBL541603

SCHEMBL541603

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.55
PPARG P37231 1/20 0.44
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41
SERPINE1 P05121 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGES O14684 1/20 0.37
KRAS P01116 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
SCHEMBL541602 1.00 CASR (0.55) CASRPPARGATP1A1ATP1B1ATP1A3
SCHEMBL541458 0.91 CASR (0.48) CASRPPARGSERPINE1
SCHEMBL541459 0.91 CASR (0.48) CASRPPARGSERPINE1
SCHEMBL541461 0.88 CASR (0.47) CASRSMN1; SMN2MEN1KMT2A
SCHEMBL541235 0.88 CASR (0.47) CASRSMN1; SMN2MEN1KMT2A
SCHEMBL541645 0.87 CASR (0.61) CASRPPARGSMN1; SMN2MEN1KMT2A
SCHEMBL541938 0.87 CASR (0.61) CASRPPARGSMN1; SMN2MEN1KMT2A
SCHEMBL541305 0.87 CASR (0.42) CASRPPARG
SCHEMBL541306 0.87 CASR (0.42) CASRPPARG
SCHEMBL3946612 0.82 CASR (0.49) CASRPPARGSMN1; SMN2

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