SCHEMBL11074571

SCHEMBL11074571

CCC1CCN(C2CCC(c3cc(Cl)cc(Cl)c3)(N(C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.46
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
CCR3 P51677 2/20 0.36
MCHR1 Q99705 1/20 0.34
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 2/20 0.32
BCHE P06276 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
MEN1 O00255 1/20 0.31
CCR1 P32246 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL11069606 0.85 OPRL1 (0.40) OPRL1DPP4DPP8DPP9CCR3
SCHEMBL11066053 0.82 OPRL1 (0.49) OPRL1DPP4DPP8DPP9MCHR1
SCHEMBL11073882 0.79 OPRL1 (0.52) OPRL1CCR3KMT2AMEN1CCR1
SCHEMBL11078536 0.79 OPRL1 (0.42) OPRL1SLC6A4SLC6A3
SCHEMBL11074296 0.78 OPRL1 (0.42) OPRL1DPP4DPP8DPP9KMT2A
SCHEMBL11072870 0.78 OPRL1 (0.42) OPRL1KMT2ACCR1
SCHEMBL11081934 0.78 OPRL1 (0.51) OPRL1SLC6A4SLC6A2KMT2AMEN1
SCHEMBL11069516 0.77 OPRL1 (0.50) OPRL1
SCHEMBL11070148 0.76 OPRL1 (0.49) OPRL1KMT2AKDM2B
SCHEMBL11070722 0.75 OPRL1 (0.40) OPRL1KMT2ACCR1

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