SCHEMBL4439973

SCHEMBL4439973

O=C1N[C@@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2C P28335 2/20 0.40
GUSB P08236 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
SLC6A4 P31645 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4437663 0.93 SCN9A (0.42) PBRM1MEN1KMT2AHTTCYP1A2
SCHEMBL4439090 0.93 SCN9A (0.42) PBRM1MEN1KMT2AHTTCYP1A2
SCHEMBL4439837 0.93 SCN9A (0.42) PBRM1MEN1KMT2AHTTCYP1A2
SCHEMBL4439829 0.84 ALDH1A1 (0.41) HTTCYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL4444087 0.82 KMT2A (0.38) PBRM1MEN1KMT2AHTTCYP1A2
SCHEMBL4436766 0.82 KMT2A (0.38) PBRM1MEN1KMT2AHTTCYP1A2
SCHEMBL8789320 0.81 GRM2 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4438948 0.81 LMNA (0.38) PBRM1MEN1KMT2AHTTHTR2C
SCHEMBL4435472 0.81 LMNA (0.38) MEN1KMT2AHTTHTR2CSLC6A4
SCHEMBL4439891 0.81 FNTA (0.38) HTTCYP2C9KDM4EALDH1A1MAPK1

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-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed