SCHEMBL6974484

SCHEMBL6974484

Cc1c(N)c(C)c(C(C)(C)C)c2c1CC(C)(CN1CCC(c3ccccc3)CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
SLC18A3 Q16572 3/20 0.37
HTR7 P34969 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
SIGMAR1 Q99720 7/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR1A P08908 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD4 P21917 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6981562 0.89 DRD2 (0.43) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL7811043 0.89 DRD2 (0.43) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL6981384 0.89 DRD2 (0.43) DRD2SLC18A3HTR7CARM1PRMT6
Bromide SCHEMBL7811677 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
Hydrochloric Acid SCHEMBL7811763 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
Hydrochloric Acid SCHEMBL6985847 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
Hydrochloric Acid SCHEMBL6984757 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
Bromide SCHEMBL7811682 0.88 DRD2 (0.42) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL6977824 0.84 DRD2 (0.39) DRD2SLC18A3HTR7CARM1PRMT6
SCHEMBL7809132 0.83 DRD2 (0.38) DRD2SLC18A3HTR7CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828736-B1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 2003-07-30 EP claimed
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP claimed
EP-0995747-B1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors SEARLE & CO (US) 2002-08-07 EP claimed
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP claimed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO claimed
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed