SCHEMBL13620078

SCHEMBL13620078

O=C(CC(c1ccccc1)c1ccccc1)NC1(C(=O)N2CCN(c3ccc(CF)cc3)CC2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
ALPG P10696 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RORC P51449 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 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
SCHEMBL4248134 0.91 LMNA (0.64) LMNATSHRALPGSMN1; SMN2FAAH
SCHEMBL4453428 0.90 TSHR (0.56) LMNATSHRSMN1; SMN2ALDH1A1TP53
SCHEMBL13671111 0.88 LMNA (0.54) LMNATSHRALPGSMN1; SMN2FAAH
SCHEMBL13671109 0.88 LMNA (0.56) LMNATSHRPOLB
SCHEMBL4450270 0.88 LMNA (0.56) LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL4456715 0.87 LMNA (0.53) LMNATSHRCTDSP1
SCHEMBL4456969 0.83 TSHR (0.51) LMNATSHRALPGSMN1; SMN2FAAH
SCHEMBL4453699 0.83 LMNA (0.53) LMNATSHRSMN1; SMN2FAAHTRPV1
SCHEMBL4453413 0.79 LMNA (0.46) LMNATSHRSMN1; SMN2FAAHTRPV1
SCHEMBL4450861 0.79 LMNA (0.46) LMNATSHRALPGSMN1; SMN2FAAH

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-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed