SCHEMBL11078360

SCHEMBL11078360

CCCC1CCN(C2CCC(c3ccc(Cl)cc3)(N(C)C3CC3)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CCR1 P32246 7/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR2 P41597 1/20 0.31
KCNH2 Q12809 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
SCHEMBL11071160 0.88 SLC6A3 (0.38) OPRL1OPRM1OPRK1SLC6A3CCR1
SCHEMBL11072870 0.86 OPRL1 (0.42) OPRL1OPRM1CCR1KMT2A
SCHEMBL11078645 0.86 SLC6A3 (0.36) OPRL1OPRM1OPRK1SLC6A3CCR1
SCHEMBL11075694 0.85 SLC6A3 (0.33) OPRL1OPRM1SLC6A3
SCHEMBL11075720 0.84 SLC6A3 (0.35) OPRL1OPRM1OPRK1SLC6A3CCR1
SCHEMBL11069281 0.81 OPRL1 (0.46) OPRL1OPRM1OPRK1CCR1CCR2
SCHEMBL11069606 0.80 OPRL1 (0.40) OPRL1OPRM1OPRK1SLC6A3
SCHEMBL11074300 0.79 SLC6A3 (0.32) OPRL1OPRM1OPRK1SLC6A3
SCHEMBL11078182 0.79 SLC6A3 (0.32) OPRL1SLC6A3
SCHEMBL11078979 0.78 OPRL1 (0.45) OPRL1OPRM1CCR1KMT2A

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