SCHEMBL9700002

SCHEMBL9700002

Cc1cc2cccc3c2n1CC(CN)O3

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CASR P41180 2/20 0.32
SLC6A2 P23975 5/20 0.31
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CYP2D6 P10635 2/20 0.30

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
SCHEMBL9701351 0.83 KDM4E (0.38) HPGDHSD17B10KDM4EALDH1A1CASR
SCHEMBL9701706 0.81 SLC6A4 (0.36) HPGDHSD17B10KDM4EALDH1A1GRM2
SCHEMBL9700179 0.81 ADRA2A (0.43) USP2
SCHEMBL3785969 0.80 HTR1A (0.41) HPGDKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL3404272 0.80 HTR1A (0.41) HPGDKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL9699368 0.79 HRH3 (0.46) USP2HTR2AHTR2C
SCHEMBL9700364 0.78 ADRA2A (0.35) USP2
SCHEMBL9701601 0.70 CNR1 (0.49) HPGDALDH1A1MAPK1RAB9ASLC6A3
SCHEMBL9700447 0.69 PTGDR2 (0.34) CASRSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2685298 0.66 CASR (0.49) SIRT1CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed