SCHEMBL7985243

SCHEMBL7985243

Clc1cc(N2CC=CCC2)c(Cl)nn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
CRHR1 P34998 1/20 0.31
MEN1 O00255 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 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
SCHEMBL8119554 0.89 BPTF (0.31)
SCHEMBL7984107 0.80 ALDH1A1 (0.32) CRHR1
SCHEMBL2646178 0.74 CYP1A2 (0.48) TDP1MEN1GFERKMT2A
SCHEMBL30893809 0.74 CYP1A2 (0.48) TDP1MEN1GFERKMT2A
SCHEMBL195203 0.71 BPTF (0.51) MEN1KMT2A
SCHEMBL2647859 0.71 MAPT (0.46) TDP1KMT2A
SCHEMBL30378500 0.71 MAPT (0.46) TDP1KMT2A
SCHEMBL30282824 0.71 BPTF (0.51) MEN1KMT2A
SCHEMBL1976538 0.70 CYP1A2 (0.58) MEN1KMT2A
SCHEMBL24961981 0.69 CNR2 (0.37) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6319924-B1 FOR THERAPY OF DELETERIOUS MENTAL STATES MERCK SHARP & DOHME LTD. (GB) 2001-11-20 US disclosed
EP-1056747-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-12-06 EP disclosed
WO-1999037649-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed