SCHEMBL10797239

SCHEMBL10797239

O=S(=O)(c1cc(Cl)cc(Cl)c1)C1CCCNC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.49
HTR6 P50406 3/20 0.42
CXCR2 P25025 12/20 0.40
CX3CR1 P49238 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.35

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
SCHEMBL10800551 0.88 APLNR (0.39) APLNRHTR6CXCR2CX3CR1CHRNB2
SCHEMBL10798768 0.87 APLNR (0.46) APLNRCXCR2CX3CR1
SCHEMBL10798781 0.87 APLNR (0.38) APLNRHTR6CXCR2CX3CR1
SCHEMBL10797771 0.86 HTR6 (0.50) APLNRHTR6CXCR2CX3CR1
Hydrochloric Acid SCHEMBL10799725 0.85 APLNR (0.37) APLNRHTR6CXCR2CX3CR1
SCHEMBL10795117 0.85 APLNR (0.47) APLNRHTR6CXCR2CX3CR1HTR3A
Hydrochloric Acid SCHEMBL10799498 0.85 HTR6 (0.49) APLNRHTR6CXCR2CX3CR1
SCHEMBL10797838 0.81 CYP2D6 (0.47) APLNRCXCR2CX3CR1
SCHEMBL16771112 0.79 GABRA1 (0.42) HTR6CXCR2
SCHEMBL10799788 0.78 APLNR (0.44) APLNRHTR6CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4642348-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
US-4593102-A N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed
EP-0160436-A2 N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-06 EP disclosed