SCHEMBL9032147

SCHEMBL9032147

Oc1ccc(/C=C/c2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.66
CYSLTR2 Q9NS75 12/20 0.66
GPBAR1 Q8TDU6 2/20 0.61
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PDE10A Q9Y233 1/20 0.57
FFAR1 O14842 1/20 0.56
AKR1B1 P15121 1/20 0.56

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
SCHEMBL9032159 1.00 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1KDM4EMEN1
SCHEMBL6583310 0.91 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
Hydrogen Sulfide SCHEMBL9818430 0.90 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9031842 0.88 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1KDM4EALDH1A1
SCHEMBL9033119 0.86 GPBAR1 (0.85) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9033055 0.86 GPBAR1 (0.85) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9031839 0.85 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9031944 0.85 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9031837 0.85 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9031363 0.85 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1

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-0397697-B1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RHONE POULENC RORER INT (US) 1996-08-28 EP disclosed
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
US-4920130-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS RORER PHARAMCEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed