SCHEMBL11081982

SCHEMBL11081982

CCCC1CCN(C2CCC(c3ccc(Cl)cc3)(N(C)C)CC2CCC)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.40
OPRL1 P41146 5/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.31
SLC18A3 Q16572 1/20 0.31
SLC6A4 P31645 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
SCHEMBL11071504 0.95 SLC6A3 (0.35) SLC6A3OPRL1OPRM1
SCHEMBL11073955 0.95 SLC6A3 (0.37) SLC6A3OPRL1PSEN1PSEN2APH1B
SCHEMBL11073871 0.90 SLC6A3 (0.38) SLC6A3OPRL1PSEN1PSEN2APH1B
SCHEMBL11069250 0.85 SLC6A3 (0.41) SLC6A3OPRL1ALDH1A1LMNAMAPT
SCHEMBL11074614 0.84 SLC6A3 (0.32) SLC6A3OPRL1OPRM1SLC18A3
SCHEMBL11076348 0.82 SLC18A3 (0.35) SLC6A3OPRL1ALDH1A1LMNAMAPT
SCHEMBL11075694 0.82 SLC6A3 (0.33) SLC6A3OPRL1OPRM1SLC18A3
SCHEMBL11067195 0.81 SLC6A3 (0.34) SLC6A3PSEN1PSEN2APH1BNCSTN
SCHEMBL11075806 0.81 SLC6A3 (0.33) SLC6A3
SCHEMBL11067453 0.79 SLC6A3 (0.32) SLC6A3

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