SCHEMBL4449541

SCHEMBL4449541

C[C@@H](O)Cn1ccc2c(NC(=O)CC3CCCCCC3)c(Cl)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
ROCK2 O75116 1/20 0.40
EPHX2 P34913 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SHMT2 P34897 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL306690 0.82 P2RX7 (0.49) P2RX7L3MBTL1ROCK2EPHX2NPC1
SCHEMBL4443575 0.78 P2RX7 (0.55) P2RX7L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL4440942 0.77 P2RX7 (0.57) P2RX7ALDH1A1
SCHEMBL4440132 0.75 P2RX7 (0.61) P2RX7SHMT2
SCHEMBL4442126 0.74 P2RX7 (0.55) P2RX7ALDH1A1KMT2A
SCHEMBL308276 0.72 P2RX7 (0.55) P2RX7EPHX2RAB9AALDH1A1KMT2A
SCHEMBL307169 0.72 P2RX7 (0.55) P2RX7EPHX2RAB9AALDH1A1KMT2A
SCHEMBL4441990 0.71 P2RX7 (0.76) P2RX7
SCHEMBL4442516 0.71 P2RX7 (0.76) P2RX7
SCHEMBL4442055 0.71 DPP4 (0.35) P2RX7ALDH1A1SHMT2HSD17B10

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-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO disclosed