SCHEMBL10799767

SCHEMBL10799767

O=S(=O)(c1ccccc1)C1CCCCNC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
APLNR P35414 2/20 0.44
KMT2A Q03164 3/20 0.42
HTR2A P28223 3/20 0.42
HTR6 P50406 2/20 0.41
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
KCNH2 Q12809 2/20 0.40
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CXCR2 P25025 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL711807 0.95 APLNR (0.50) MAPTAPLNRKMT2AHTR2AHTR6
Hydrochloric Acid SCHEMBL28532829 0.93 APLNR (0.49) MAPTAPLNRKMT2AHTR2AHTR6
SCHEMBL336837 0.88 HTR2A (0.45) MAPTHTR2AHTR6KCNH2HTR2C
Hydrochloric Acid SCHEMBL3547060 0.86 HTR2A (0.44) MAPTKMT2AHTR2AHTR6KCNH2
SCHEMBL10800370 0.86 APLNR (0.45) APLNRKMT2AHTR2AHTR6MMP8
Maleic Acid SCHEMBL11022706 0.85 KMT2A (0.43) APLNRKMT2AHTR6CXCR2
Fumaric Acid SCHEMBL11022713 0.85 KMT2A (0.43) APLNRKMT2AHTR6CXCR2
Hydrochloric Acid SCHEMBL10794547 0.84 APLNR (0.44) APLNRKMT2AHTR2AHTR6MMP8
SCHEMBL10797750 0.82 MMP8 (0.60) APLNRKMT2AHTR6MMP8MMP13
SCHEMBL777971 0.82 MAPT (0.56) MAPTKMT2AHTR2AHTR6MMP8

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