SCHEMBL28301582

SCHEMBL28301582

COc1ccc(C2(O)CCCN(C(C)(C)C)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
HSD11B1 P28845 1/20 0.48
SLC6A1 P30531 1/20 0.44
SLC6A12 P48065 1/20 0.44
SLC6A11 P48066 1/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
CCR1 P32246 1/20 0.41

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
SCHEMBL19226368 0.83 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL19462825 0.82 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL12363963 0.82 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1HSD11B1
Hydrochloric Acid SCHEMBL10752401 0.81 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL10319703 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL12317609 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL28970507 0.78 SLC6A4 (0.54) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL2778410 0.78 SLC6A4 (0.54) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL21874209 0.78 SLC6A4 (0.54) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL28970493 0.78 SLC6A4 (0.54) OPRM1OPRD1OPRK1OPRL1HSD11B1

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-109810047-A (R) synthetic method of the chiral intermediate of -3- Phenylpiperidine or/and (S) -3- Phenylpiperidine and Ni Lapani 上海博邦医药科技有限公司 2019-05-28 CN disclosed