SCHEMBL14367116

SCHEMBL14367116

N#Cc1ccc(CC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
LTA4H P09960 1/20 0.46
CYP19A1 P11511 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CYP2A6 P11509 1/20 0.45
HTR6 P50406 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX1 P07099 2/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPA1 O75762 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL12825295 0.94 LOXL2 (0.47) MAOAMAOBLTA4HCYP19A1LOXL2
SCHEMBL16619385 0.90 LOXL2 (0.50) MAOAMAOBCYP19A1LOXL2CYP2A6
SCHEMBL3145121 0.83 GBA1 (0.61) LOXL2HRH3CYP2A6KCNH2GBA1
SCHEMBL16447507 0.81 NSD2 (0.44) MAOAMAOBLOXL2CYP2A6KCNJ1
SCHEMBL8433294 0.81 MAOA (0.60) MAOAMAOBCYP19A1LOXL2HRH3
Hydrochloric Acid SCHEMBL4577505 0.81 GBA1 (0.59) LOXL2HRH3CYP2A6KCNH2GBA1
Hydrochloric Acid SCHEMBL23410114 0.80 GBA1 (0.58) LOXL2HRH3CYP2A6KCNH2GBA1
SCHEMBL27741252 0.79 HRH3 (0.54) MAOAMAOBHRH3CYP2A6HTR6
SCHEMBL11249312 0.79 MAOA (0.50) MAOAMAOBCYP19A1LOXL2HRH3
SCHEMBL10479942 0.79 MAOA (0.57) MAOAMAOBCYP19A1LOXL2HRH3

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
US-7288360-B2 Image recording material FUJIFILM CORPORATION (JP) 2007-10-30 US disclosed