SCHEMBL18610127

SCHEMBL18610127

COc1cccc(CNC(C)c2cc(-c3cc(C)c(F)c(C(=O)OC(C)C)c3)c3ccccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ CASR P41180 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ APP P05067 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ RXFP1 Q9HBX9 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
SCHEMBL18610314 0.90 SMN1; SMN2 (0.44) LMNASMN1; SMN2HTTCASRMAPT
SCHEMBL18610129 0.86 ROCK1 (0.38) LMNASMN1; SMN2HTTMAPTMEN1
SCHEMBL18609918 0.83 LMNA (0.47) LMNASMN1; SMN2HTTCASRMAPT
SCHEMBL18610032 0.81 CASR (0.41) LMNASMN1; SMN2HTTCASRMAPT
SCHEMBL18610128 0.79 SMN1; SMN2 (0.42) LMNASMN1; SMN2HTTCASRMAPT
SCHEMBL18610135 0.78 ATM (0.41) LMNASMN1; SMN2HTTCASRMAPT
SCHEMBL18610315 0.75 ROCK1 (0.42) LMNAHTTCASRMAPTNPSR1
SCHEMBL18609943 0.74 POLB (0.41) LMNACASRMAPTATM
SCHEMBL18609947 0.74 HSD17B1 (0.35) LMNACASRMAPTACP1MEN1
SCHEMBL18610031 0.69 CASR (0.38) CASRMAPTMEN1KMT2APTGER4

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-2017037616-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2017-03-09 — — WO disclosed
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