SCHEMBL9044341

SCHEMBL9044341

COc1ccc(C(c2ccc(OC)cc2)c2cnccc2C(=O)NC23CC4CC(CC2C4)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
EPHX2 P34913 2/20 0.41
LMNA P02545 3/20 0.40
P2RX7 Q99572 1/20 0.39
CNR1 P21554 1/20 0.37
FAAH O00519 2/20 0.36
P2RX2 Q9UBL9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ROCK2 O75116 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9040723 0.89 CNR2 (0.56) CNR2EPHX2LMNACNR1FAAH
SCHEMBL9043610 0.88 CNR2 (0.38) CNR2EPHX2P2RX7CNR1ALDH1A1
SCHEMBL9044863 0.80 EPHX2 (0.52) CNR2EPHX2LMNAROCK2MEN1
SCHEMBL9044489 0.76 CNR2 (0.52) CNR2EPHX2CNR1FAAHALDH1A1
SCHEMBL9041625 0.74 RAB9A (0.49) CNR2EPHX2CNR1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL9040759 0.74 LMNA (0.43) LMNAALDH1A1ROCK2MEN1KMT2A
SCHEMBL9042891 0.73 LMNA (0.45) LMNAALDH1A1NPSR1ROCK2MEN1
SCHEMBL9042416 0.68 HPGD (0.49) LMNAFAAHALDH1A1MEN1KMT2A
SCHEMBL9043728 0.66 HSD11B1 (0.41) CNR2LMNAFAAHMEN1KMT2A
SCHEMBL30772293 0.65 KDM4E (0.49) LMNAALDH1A1MEN1KMT2AGAA

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
JP-6073010-A None JP disclosed
EP-0578419-B1 Pyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1996-09-04 EP disclosed
JP-H0673010-A PYRIDINE DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1994-03-15 JP disclosed
EP-0578419-A1 Pyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-01-12 EP disclosed