SCHEMBL11247876

SCHEMBL11247876

C=CCC1(c2ccccc2)CCCC1CNC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A4 P31645 11/20 0.39
SLC6A2 P23975 5/20 0.39
OPRM1 P35372 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A3 Q01959 4/20 0.36

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
SCHEMBL11244801 0.75 LMNA (0.42) OPRM1
SCHEMBL11256394 0.73 LMNA (0.42)
SCHEMBL28739222 0.73 SLC22A1 (0.62) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL11244360 0.72 LMNA (0.41) SLC6A4SLC6A2
SCHEMBL11252284 0.70 LMNA (0.39) SLC6A4SLC6A2
SCHEMBL28739214 0.69 SLC22A1 (0.68) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL11079566 0.69 MEN1 (0.33) SLC6A4SLC6A2OPRM1SLC6A3
SCHEMBL14579047 0.65 CHRM2 (0.63) HTR2AHTR2CHTR2BSLC6A4SLC6A2
SCHEMBL11591002 0.65 HTR2C (0.62) HTR2AHTR2CHTR2BSLC6A4SLC6A2
Hydrochloric Acid SCHEMBL17420822 0.64 CHRM2 (0.61) HTR2AHTR2CHTR2BSLC6A4SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed