SCHEMBL27573152

SCHEMBL27573152

O=C(c1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.66
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.46
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL28443897 0.80 CNR2 (1.00) CNR2LMNAHTTNPC1RAB9A
SCHEMBL6327765 0.80 CNR2 (0.48) CNR2LMNAHTTNPC1RAB9A
SCHEMBL6327766 0.80 CYP1A2 (0.44) CNR2LMNAHTTNPC1RAB9A
SCHEMBL3808272 0.73 AURKA (0.59) CNR2LMNAHTTNPC1RAB9A
SCHEMBL29988822 0.72 CNR2 (0.65) CNR2LMNAHTTNPC1RAB9A
SCHEMBL250171 0.72 CCND3 (0.70) LMNAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL13405901 0.72 SMN1; SMN2 (0.62) LMNAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL160155 0.71 AURKA (0.61) LMNANPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7000982 0.71 CCND3 (0.68) LMNAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL29414293 0.71 AURKA (0.61) LMNANPC1RAB9ASMN1; SMN2KDM4E

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-1317965-A Compounds having IgE affecting properties AVANIR PHARMACEUTICALS (US) 2001-10-17 CN disclosed