SCHEMBL11079017

SCHEMBL11079017

C=CCN(CC1CC1)C1(c2ccc(Cl)cc2)CCC(=O)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.34
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
OPRM1 P35372 1/20 0.31
UTS2R Q9UKP6 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
SCHEMBL11077331 0.87 KCNN4 (0.35) KCNN4PSEN1PSEN2APH1BNCSTN
SCHEMBL11069388 0.79 SLC6A4 (0.33) OPRM1
SCHEMBL11077717 0.78 OPRM1 (0.36) OPRM1
SCHEMBL11073309 0.77 SLC6A4 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11073838 0.76 KCNN4 (0.32) KCNN4
SCHEMBL11090331 0.76 MAOA (0.38) OPRM1
SCHEMBL11070605 0.76 MAOA (0.38) OPRM1
SCHEMBL11096526 0.76 MAOA (0.38) OPRM1
SCHEMBL11072605 0.76 SLC6A4 (0.41) KCNN4
SCHEMBL11073833 0.76 KCNN4 (0.32) KCNN4

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