SCHEMBL11078645

SCHEMBL11078645

CCCC1CCN(C2CCC(c3ccc(Cl)cc3)(N(CCC)CCC)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.36
OPRL1 P41146 6/20 0.35
CCR1 P32246 6/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 1/20 0.32
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 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL11075720 0.94 SLC6A3 (0.35) SLC6A3OPRL1CCR1OPRM1OPRK1
SCHEMBL11071160 0.93 SLC6A3 (0.38) SLC6A3OPRL1CCR1OPRM1OPRK1
SCHEMBL11078182 0.90 SLC6A3 (0.32) SLC6A3OPRL1
SCHEMBL11070722 0.87 OPRL1 (0.40) OPRL1CCR1OPRM1KMT2A
SCHEMBL11075806 0.86 SLC6A3 (0.33) SLC6A3
SCHEMBL11078360 0.86 OPRL1 (0.37) SLC6A3OPRL1CCR1OPRM1OPRK1
SCHEMBL11074300 0.84 SLC6A3 (0.32) SLC6A3OPRL1OPRM1OPRK1
SCHEMBL11073972 0.81 OPRL1 (0.40) SLC6A3OPRL1CCR1OPRM1KMT2A
SCHEMBL11069281 0.81 OPRL1 (0.46) OPRL1CCR1OPRM1OPRK1CCR2
SCHEMBL11067195 0.81 SLC6A3 (0.34) SLC6A3PSEN1PSEN2APH1BNCSTN

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