SCHEMBL11075656

SCHEMBL11075656

C=CCN(CCC)C1CCC(c2ccc(Cl)cc2)(N(CC)CC)CC1C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
HTR1D P28221 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
SCHEMBL11069627 0.95 HTR1A (0.31) HTR1AHTR1D
SCHEMBL11074288 0.93 KCNH2 (0.31) HTR1AHTR1D
SCHEMBL11068797 0.90 KCNN4 (0.32)
SCHEMBL11076893 0.89
SCHEMBL11069257 0.88 HTR1D (0.33) HTR1AHTR1D
SCHEMBL11070194 0.86 HTR1D (0.37) HTR1AHTR1D
SCHEMBL11067219 0.80 HTR1D (0.38) HTR1AHTR1D
SCHEMBL11076951 0.80 HTR1A (0.31) HTR1AHTR1D
SCHEMBL11066357 0.79 HTR1A (0.31) HTR1AHTR1D
SCHEMBL11077768 0.79 SLC6A4 (0.35)

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