SCHEMBL11074296

SCHEMBL11074296

CCC1CCN(C2CCC(c3ccc(Cl)cc3)(N(CC)CC)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.42
KMT2A Q03164 1/20 0.39
CCR1 P32246 8/20 0.37
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL11070722 0.91 OPRL1 (0.40) OPRL1KMT2ACCR1POLBOPRM1
SCHEMBL11069208 0.89 OPRL1 (0.38) OPRL1KMT2ACCR1POLBOPRM1
SCHEMBL11072870 0.86 OPRL1 (0.42) OPRL1KMT2ACCR1POLBOPRM1
SCHEMBL11069872 0.86 SLC18A3 (0.34) OPRL1KMT2AOPRM1
SCHEMBL11075757 0.86 OPRL1 (0.43) OPRL1KMT2ACCR1POLBOPRM1
SCHEMBL11071160 0.85 SLC6A3 (0.38) OPRL1KMT2ACCR1POLBOPRM1
SCHEMBL11077581 0.85 OPRL1 (0.35) OPRL1KMT2ACCR1POLB
SCHEMBL11069769 0.84 OPRL1 (0.34) OPRL1KMT2ACCR1POLB
SCHEMBL11078645 0.79 SLC6A3 (0.36) OPRL1KMT2ACCR1OPRM1
SCHEMBL11073882 0.78 OPRL1 (0.52) OPRL1KMT2ACCR1OPRM1

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