SCHEMBL8863202

SCHEMBL8863202

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@](O)(Cl)c1ccnc2ccc(OC)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.62
ALDH1A1 P00352 5/20 0.62
HSD17B10 Q99714 5/20 0.62
KDM4E B2RXH2 4/20 0.62
ADRA2A P08913 4/20 0.62
SLC6A4 P31645 4/20 0.62
OPRM1 P35372 4/20 0.62
KCNH2 Q12809 4/20 0.62
CYP3A4 P08684 4/20 0.62
HPGD P15428 3/20 0.62
TSHR P16473 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SLC6A3 Q01959 2/20 0.62
CHRM2 P08172 1/20 0.62
SCN1A P35498 4/20 0.50
SCN2A Q99250 4/20 0.50
SCN3A Q9NY46 4/20 0.50
CALCRL Q16602 4/20 0.47
SLC22A1 O15245 3/20 0.47

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
SCHEMBL669873 0.86 CYP2D6 (0.64) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL10657823 0.84 CYP2D6 (0.57) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL11522016 0.83 CYP2D6 (0.57) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL10478038 0.82 CYP2D6 (0.57) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL10478036 0.81 CYP2D6 (0.55) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL10478272 0.80 CYP2D6 (0.53) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL8828143 0.80 CYP2D6 (0.53) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL2547364 0.79 CYP2D6 (0.54) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL11430519 0.77 CYP2D6 (0.51) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A
SCHEMBL14535338 0.77 CYP2D6 (0.64) CYP2D6ALDH1A1HSD17B10KDM4EADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591561-A Method for processing black-and-white silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1997-01-07 US disclosed
EP-0727701-A1 A method for processing black-and-white silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1996-08-21 EP disclosed
US-4871817-A IMPROVED HEAT DISTORTION TEMPERATURE, FLEXURAL MODULUS, SPECIFIC GRAVITY, TENSILE STRENGTH GENERAL ELECTRIC COMPANY (US) 1989-10-03 US disclosed
EP-0278066-A2 Polyetherimide-liquid crystal polymer blends GENERAL ELECTRIC COMPANY (US) 1988-08-17 EP disclosed