SCHEMBL11078604

SCHEMBL11078604

CCCN(c1cc(C)cc(C)c1)C1CCC(c2ccc(Cl)cc2)(N(CC)CC)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PGR P06401 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
F2 P00734 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
SCHEMBL11079381 0.91 PGR (0.31) PGRDRD2DRD3
SCHEMBL11077643 0.88
SCHEMBL11074662 0.88 SLC6A4 (0.32) SLC6A4SLC6A3PGRDRD2DRD3
SCHEMBL11076857 0.87
SCHEMBL11079751 0.83
SCHEMBL11074062 0.81 PGR (0.35) PGRDRD2DRD3
SCHEMBL11075041 0.80
SCHEMBL11073495 0.80 PGR (0.33) PGR
SCHEMBL11077431 0.79 OPRM1 (0.36)
SCHEMBL11069096 0.78

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