SCHEMBL11077331

SCHEMBL11077331

C=CCN(CC1CC1)C1(c2ccc(Cl)cc2)CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
UTS2R Q9UKP6 2/20 0.31
OPRM1 P35372 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
SCHEMBL11079017 0.87 KCNN4 (0.34) KCNN4PSEN1PSEN2APH1BNCSTN
SCHEMBL11072605 0.79 SLC6A4 (0.41) KCNN4
SCHEMBL11072601 0.78 MDM2 (0.35) KCNN4PSEN1PSEN2APH1BNCSTN
SCHEMBL11073002 0.78 KCNN4 (0.36) KCNN4
Morpholine SCHEMBL11073222 0.77 KCNN4 (0.31) KCNN4PSEN1PSEN2APH1BNCSTN
SCHEMBL11068775 0.77 OPRL1 (0.36) KCNN4OPRM1
SCHEMBL11077581 0.76 OPRL1 (0.35) KCNN4
SCHEMBL11073838 0.75 KCNN4 (0.32) KCNN4
SCHEMBL11124500 0.74 MEN1 (0.47) OPRM1
SCHEMBL11073833 0.74 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