SCHEMBL27934812

SCHEMBL27934812

CCCCCC(C)(C)[CH]c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HSP90AA1 P07900 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL6557079 0.74 LMNA (0.41) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1515094 0.73 RAB9A (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL498600 0.73 CYP1A2 (0.50) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL9576063 0.73 EGFR (0.43) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL2167102 0.71 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL8199056 0.71 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL8199934 0.71 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL8200114 0.71 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL19059408 0.71 SMN1; SMN2 (0.42) CYP1A2CYP2C19NPC1RAB9AKDM4E
SCHEMBL4726800 0.71 SMN1; SMN2 (0.42) CYP1A2CYP2C19NPC1RAB9AKDM4E

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
CN-103539785-A Cannabinoid receptor modulators ARENA PHARM INC 2014-01-29 CN disclosed