SCHEMBL8060435

SCHEMBL8060435

CC1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
CYP2D6 P10635 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
STS P08842 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 1/20 0.44
SCD5 Q86SK9 1/20 0.44
ATM Q13315 1/20 0.44
TACR1 P25103 1/20 0.43
CYP11B2 P19099 1/20 0.43
NAMPT P43490 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL8042358 0.83 PDK1 (0.44) OPRD1OPRK1CYP2D6CYP3A4GPR119
SCHEMBL31066454 0.82 OPRD1 (0.52) OPRD1OPRK1CYP2D6ALDH1A1GPR119
SCHEMBL27225672 0.82 PDK1 (0.48) OPRD1OPRK1STSTACR1
SCHEMBL27477846 0.82 CYP2D6 (0.62) OPRD1OPRK1CYP2D6ALDH1A1CYP3A4
SCHEMBL8060461 0.81 CYP2D6 (0.67) OPRD1OPRK1CYP2D6ALDH1A1CYP3A4
SCHEMBL31066302 0.80 OPRD1 (0.41) OPRD1OPRK1GPR119STSKDM4E
SCHEMBL31066510 0.80 OPRD1 (0.41) OPRD1OPRK1GPR119STSKDM4E
SCHEMBL12526355 0.80 CYP2D6 (0.69) OPRD1OPRK1CYP2D6ALDH1A1CYP3A4
SCHEMBL17793379 0.78 STS (0.55) OPRD1OPRK1GPR119STSKDM4E
SCHEMBL19468922 0.78 STS (0.55) OPRD1OPRK1GPR119STSKDM4E

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
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 US disclosed