SCHEMBL4653345

SCHEMBL4653345

O=C1NCC(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)N1Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CYP19A1 P11511 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 3/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
MAPK1 P28482 3/20 0.36
MTOR P42345 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
BLM P54132 3/20 0.36
PMP22 Q01453 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MLNR O43193 2/20 0.36
GMNN O75496 2/20 0.36

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
SCHEMBL4653651 0.87 LMNA (0.44) MAPTCYP19A1NPSR1LMNAHTT
SCHEMBL4654585 0.78 CYP3A4 (0.46) MAPTCYP19A1NPSR1TSHRUSP2
SCHEMBL4652287 0.75 CYP3A4 (0.41) MAPTCYP19A1NPSR1TSHRUSP2
SCHEMBL4654495 0.75 MEN1 (0.44) MAPTNPSR1TSHRUSP2MEN1
SCHEMBL4653378 0.74 MEN1 (0.46) MAPTCYP19A1NPSR1TSHRUSP2
SCHEMBL4285624 0.71 RAB9A (0.44) MAPTCYP19A1NPSR1TSHRUSP2
SCHEMBL4285362 0.67 CYP19A1 (0.42) MAPTCYP19A1NPSR1TSHRUSP2
SCHEMBL4652605 0.67 CYP19A1 (0.40) MAPTCYP19A1NPSR1TSHRUSP2
SCHEMBL4652536 0.65 PARG (0.43) MAPTCYP19A1NPSR1TSHRUSP2
SCHEMBL10362320 0.64 CYP3A4 (0.42) MAPTCYP19A1NPSR1TSHRUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987009-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2008-11-05 EP disclosed
WO-2007085357-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-02 WO disclosed