SCHEMBL3233295

SCHEMBL3233295

CC(C)c1ccccc1CC1CNc2ccc(Cl)cc2C(c2ccc(O)cc2)=N1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.43
CHRM1 P11229 12/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
ALB P02768 1/20 0.43
KMT2A Q03164 1/20 0.43
LPAR1 Q92633 1/20 0.38

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
SCHEMBL2264526 0.88 CHRM1 (0.44) CCKBRCHRM1MEN1LMNAALB
SCHEMBL2268675 0.87 MEN1 (0.43) CCKBRCHRM1MEN1LMNAALB
SCHEMBL2267642 0.87 LMNA (0.44) CCKBRCHRM1MEN1LMNAALB
SCHEMBL2267540 0.83 CCKBR (0.41) CCKBRCHRM1MEN1LMNAALB
SCHEMBL4101781 0.83 CCKBR (0.61) CCKBRCHRM1MEN1LMNAALB
SCHEMBL11964628 0.83 CCKBR (0.61) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3225705 0.81 OPRK1 (0.41) CCKBRCHRM1LMNAALBLPAR1
SCHEMBL3231240 0.80 CHRM1 (0.38) CCKBRCHRM1MEN1LMNAALB
SCHEMBL2268176 0.79 CHRM1 (0.40) CCKBRCHRM1MEN1LMNAALB
SCHEMBL2269267 0.79 MEN1 (0.39) CCKBRCHRM1MEN1LMNAALB

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-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP claimed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO claimed