SCHEMBL7759022

SCHEMBL7759022

CCCCN(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSPO P30536 7/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
ALDH1A1 P00352 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68
NR1I3 Q14994 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
CRHR1 P34998 1/20 0.47

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
SCHEMBL10982454 0.86 TSPO (0.67) TSPOMEN1KMT2ACYP3A4CYP2C9
SCHEMBL20263662 0.84 TSPO (0.71) TSPOMEN1KMT2ACYP3A4CYP2C9
SCHEMBL8523140 0.83 TSPO (0.64) TSPOMEN1KMT2ACYP3A4CYP2C9
Pk-11195 SCHEMBL29354252 0.81 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL29477174 0.81 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL15118334 0.81 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
Pk-11195 SCHEMBL31060347 0.81 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL29357086 0.81 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL12790424 0.81 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL7685386 0.81 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087790-A2 USE OF A COMPOUND HAVING AFFINITY FOR THE BENZODIAZEPINE MITOCHONDRIAL RECEPTOR IN CANCER THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-04-04 EP claimed
WO-1999066958-A2 USE OF A COMPOUND HAVING AFFINITY FOR THE BENZODIAZEPINE MITOCHONDRIAL RECEPTOR IN CANCER THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-12-29 WO claimed
US-5776946-A Peripheral benzodiazepine receptor ligands as antiinflammatory agents MCGEER, EDITH G. (CA) 1998-07-07 US claimed
US-5032595-A Method of stimulating steroidogenesis with alpidem FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1991-07-16 US disclosed