SCHEMBL7565320

SCHEMBL7565320

CC(=O)N(C)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.57
OPRL1 P41146 1/20 0.57
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
ATM Q13315 1/20 0.52
TACR1 P25103 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
CCR5 P51681 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
USP30 Q70CQ3 3/20 0.43
RORC P51449 2/20 0.42
SCD5 Q86SK9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2329813 0.91 TSHR (0.55) OPRM1OPRL1TSHRALOX15ATM
SCHEMBL13543984 0.80 TSHR (0.64) TSHRALOX15ATMTACR1OPRD1
SCHEMBL240381 0.80 TSHR (0.57) OPRM1OPRL1TSHRALOX15ATM
SCHEMBL3246933 0.80 TSHR (0.57) TSHRALOX15ATMTACR1OPRD1
SCHEMBL5415030 0.80 TSHR (0.60) TSHRALOX15ATMTACR1OPRD1
Hydrochloric Acid SCHEMBL7559118 0.79 OPRM1 (0.53) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL972474 0.79 TSHR (0.65) TSHRALOX15ATMTACR1OPRD1
SCHEMBL237234 0.79 TSHR (0.56) TSHRALOX15ATMTACR1OPRD1
SCHEMBL10324681 0.79 TSHR (0.56) TSHRALOX15ATMTACR1OPRD1
SCHEMBL9910972 0.78 OPRM1 (0.71) OPRM1OPRL1TACR1OPRD1OPRK1

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
EP-0915849-A2 PROCESS FOR THE PREPARATION OF 3,3-DISUBSTITUTED PIPERIDINES Smithkline Beecham S.p.A. (IT) 1999-05-19 EP disclosed
WO-1998005640-A2 PROCESS FOR THE PREPARATION OF 3,3-DISUBSTITUTED PIPERIDINES SMITHKLINE BEECHAM S.P.A. (IT) 1998-02-12 WO disclosed