SCHEMBL7987288

SCHEMBL7987288

O=S(=O)(c1ccc(OCCCc2c[nH]cn2)cc1-c1ccc(F)cc1)c1ccc(OCCCc2c[nH]cn2)cc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.38
ADORA2A P29274 6/20 0.36
ADORA1 P30542 6/20 0.36
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
MAOA P21397 3/20 0.33
AGTR2 P50052 1/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDIA6 Q15084 1/20 0.32

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
SCHEMBL4379847 0.80 HTR2A (0.42) MAOBHTR2AKDM4ELMNAHTT
SCHEMBL7961327 0.79 RAB9A (0.43) HTR2AMCHR1LMNAHTT
SCHEMBL8795290 0.73 ALDH1A1 (0.41) LMNA
SCHEMBL7987248 0.73 HRH3 (0.47) KDM4ELMNASMN1; SMN2
SCHEMBL7994413 0.72 HCAR2 (0.41) MAOB
SCHEMBL7987765 0.70 FFAR1 (0.40) FFAR1FFAR4
SCHEMBL4383493 0.70 CYP1A2 (0.33) HTR2AMCHR1
SCHEMBL4382609 0.69 HRH3 (0.56) MAOBMAOAHTR2A
SCHEMBL7972615 0.68 HRH3 (0.37) HTR2AMCHR1
SCHEMBL4384666 0.68 LTA4H (0.33) FFAR1

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed