SCHEMBL13620306

SCHEMBL13620306

C=C(CC(c1ccccc1C)c1ccccc1C)NC1(C(=C)N2CCN(c3ccccc3)CC2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.35
GFER P55789 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HCN4 Q9Y3Q4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4456722 0.80 TSHR (0.59) LMNATSHRPOLBMAPTALDH1A1
SCHEMBL13620516 0.70 LMNA (0.45) LMNATSHRMEN1KMT2AATM
SCHEMBL13620294 0.68 CACNA2D1 (0.45) LMNATSHRMAPK1
SCHEMBL4452309 0.67 TSHR (0.43) LMNATSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL4447544 0.67 LMNA (0.72) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL4248134 0.65 LMNA (0.64) LMNATSHRMEN1KMT2AMAPT
SCHEMBL1839339 0.64 MAPT (0.58) LMNATSHRPOLBMEN1KMT2A
SCHEMBL13671109 0.63 LMNA (0.56) LMNATSHRPOLBHTT
SCHEMBL8212831 0.61 ESR1 (0.43) LMNATSHRPOLBMEN1KMT2A
SCHEMBL4081515 0.60 LMNA (0.61) LMNATSHRMEN1KMT2AALDH1A1

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