SCHEMBL1626463

SCHEMBL1626463

O=S(=O)(c1ccc(C2CCCCC2)cc1)C(C1CCCNC1)N1CCc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.43
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
AKR1C3 P42330 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HTR6 P50406 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
WDR77 Q9BQA1 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCOLN2 Q8IZK6 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
MCOLN1 Q9GZU1 1/20 0.34

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
Hydrochloric Acid SCHEMBL5922613 0.99 PRMT5 (0.42) PRMT5LMNAHTTAKR1C3DPP8
SCHEMBL1626459 0.89 HTR6 (0.42) PRMT5LMNAHTTAKR1C3DPP8
SCHEMBL14236989 0.89 MCOLN2 (0.41) PRMT5LMNADPP8HTR6MEN1
Hydrochloric Acid SCHEMBL5922605 0.88 HTR6 (0.41) PRMT5LMNAHTTAKR1C3DPP8
Hydrochloric Acid SCHEMBL1626825 0.88 MCOLN2 (0.40) PRMT5LMNADPP8HTR6MEN1
SCHEMBL14237117 0.81 HTR6 (0.40) PRMT5LMNAHTR6MEN1KMT2A
SCHEMBL1629614 0.80 MEN1 (0.50) LMNAHTTHTR6MEN1KMT2A
SCHEMBL14237015 0.80 MAPT (0.41) PRMT5LMNAHTTHTR6MEN1
SCHEMBL14237044 0.80 PKM (0.38) LMNAMEN1KMT2A
SCHEMBL1625414 0.80 SMN1; SMN2 (0.43) LMNAHTTHTR6SMN1; SMN2

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
EP-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP claimed
EP-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP disclosed
US-7928121-B2 2-[1-(5-Chloro-2,4-difluoro-benzenesulfonyl)-piperidin-4-ylmethyl]-1,2,3,4-tetrahydroisoquinolinehydrochloride; antidepressant, anxiolytic, hypotensive agent; psychosis, schizophrenia, migraine, cognition activity; pharmacokinetics LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-19 US disclosed