SCHEMBL11066053

SCHEMBL11066053

CN1CCN(C2CCC(c3cc(Cl)cc(Cl)c3)(N(C)C)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.49
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
MCHR1 Q99705 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
TACR1 P25103 1/20 0.35
BCL2A1 Q16548 1/20 0.34
OPRM1 P35372 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
PARP1 P09874 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11074571 0.82 OPRL1 (0.46) OPRL1SLC6A4SLC6A2SLC6A3DPP4
SCHEMBL11076835 0.77 OPRL1 (0.44) OPRL1SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL11078293 0.77 OPRL1 (0.56) OPRL1SLC6A4TACR1OPRM1
SCHEMBL11078979 0.76 OPRL1 (0.45) OPRL1SLC6A4TACR1OPRM1KMT2A
SCHEMBL11077290 0.76 OPRD1 (0.55) OPRL1OPRM1
SCHEMBL11069606 0.76 OPRL1 (0.40) OPRL1SLC6A4SLC6A2SLC6A3DPP4
SCHEMBL11070850 0.75 OPRL1 (0.53) OPRL1SLC6A4SLC6A2SLC6A3KDM2B
SCHEMBL11075757 0.74 OPRL1 (0.43) OPRL1SLC6A4SLC6A2SLC6A3DPP4
SCHEMBL11073750 0.72 OPRL1 (0.50) OPRL1SLC6A4TACR1OPRM1KMT2A
SCHEMBL11073972 0.71 OPRL1 (0.40) OPRL1SLC6A4SLC6A3TACR1OPRM1

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
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed