SCHEMBL28293807

SCHEMBL28293807

c1ccc(-c2cc(C3CC3)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CNR1 P21554 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
DYRK1A Q13627 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
SCHEMBL7010837 0.77 AR (0.46) ARGABRA1GABRG2GABRB3HTR3E
SCHEMBL11205547 0.71 AR (0.43) ARRAB9AHSD17B1HSD17B2CYP3A4
SCHEMBL27948099 0.71 NPC1 (0.48) NPC1RAB9ASLC18A3SIGMAR1NOTUM
SCHEMBL7915311 0.70 HSD17B1 (0.61) ARHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL3907230 0.69 AR (0.44) ARGABRA1GABRG2GABRB3NPC1
SCHEMBL15757454 0.68 NPC1 (0.70) NPC1RAB9ASLC18A3SIGMAR1GRIN2B
SCHEMBL28560812 0.67 AR (0.43) ARHTR3EHTR3BCHRNA7HTR3A
SCHEMBL72613 0.67 AR (0.43) ARNPC1RAB9AHSD17B1HSD17B2
SCHEMBL4489979 0.67 MAOA (0.48) ARNPC1RAB9AHSD17B1HSD17B2
SCHEMBL4947340 0.67 CNR1 (0.50) ARNPC1RAB9AHSD17B1HSD17B2

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
CN-109925312-A For treating the composition, preparation and method of eye disease 爱尔皮奥治疗有限公司 2019-06-25 CN disclosed
CN-105307498-B Compositions, formulations and methods for treating ocular diseases 爱尔皮奥治疗有限公司 2019-04-16 CN disclosed