SCHEMBL20124017

SCHEMBL20124017

C=C1C(c2cccc(N)c2)=CCc2cc(C3CC3)ccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.32
MAOA P21397 1/20 0.32
PRF1 P14222 1/20 0.30

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
SCHEMBL20124031 0.80 MAOA (0.42) TDP2MAOAPRF1
SCHEMBL20923984 0.68 MAOA (0.57) TDP2MAOA
SCHEMBL29845878 0.68 MAOA (0.57) TDP2MAOA
SCHEMBL29411064 0.66 CYP3A4 (0.50) MAOA
SCHEMBL273350 0.66 CYP3A4 (0.50) MAOA
SCHEMBL21695847 0.65 MAPT (0.54) TDP2
Hydrochloric Acid SCHEMBL25305777 0.64 CYP3A4 (0.48) MAOA
SCHEMBL20924224 0.62 KDM1A (0.50) MAOA
SCHEMBL18956824 0.59 HDAC4 (0.47)
SCHEMBL16334825 0.59 HDAC4 (0.52)

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
EP-2686298-B1 SUBSTITUTED DIPHENYL DERIVATIVES CREATIVE THERAPEUTICS GMBH (DE) 2018-05-09 EP disclosed