SCHEMBL7004531

SCHEMBL7004531

CCCN(CCC)c1cc(-c2nccc3ccccc23)c(C)c(N(CCC)CCC)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.41
CYP2A6 P11509 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 1/20 0.35
S1PR1 P21453 1/20 0.34
MEN1 O00255 1/20 0.34
AGTR1 P30556 1/20 0.34

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
SCHEMBL7004487 0.88 CYP2A6 (0.39) CYP2A6NPC1RAB9AKMT2AKDM4E
SCHEMBL7004623 0.81 S100A4 (0.42) CYP2A6NPC1RAB9AKMT2AKDM4E
SCHEMBL7003938 0.76 CYP2A6 (0.39) CYP2A6NPC1RAB9AKMT2AKDM4E
SCHEMBL7004432 0.74 AR (0.40) CRHR1NPC1RAB9AKMT2AMAPT
SCHEMBL7005624 0.73 CYP2A6 (0.41) CYP2A6NPC1RAB9AKMT2AKDM4E
SCHEMBL20751802 0.69 CRHR1 (0.46) CRHR1NPC1RAB9AKMT2AKDM4E
SCHEMBL7003968 0.69 KMT2A (0.42) CYP2A6NPC1RAB9AKMT2AKDM4E
SCHEMBL8489711 0.69 MEN1 (0.50) CRHR1CYP2A6NPC1RAB9AKMT2A
SCHEMBL12762391 0.68 S100A4 (0.47) CYP2A6NPC1RAB9AKMT2AKDM4E
SCHEMBL7005310 0.68 CYP2A6 (0.38) CYP2A6NPC1RAB9AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed