SCHEMBL7628613

SCHEMBL7628613

c1ccc(CCCC2CCc3ccccc3O2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
HTR1A P08908 3/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CA2 P00918 2/20 0.48
GRIN2B Q13224 2/20 0.47
GRIN1 Q05586 1/20 0.47
HTR1D P28221 1/20 0.44

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
SCHEMBL10750642 0.84 SMN1; SMN2 (0.46) SIGMAR1GRIN2B
SCHEMBL8510380 0.81 CA2 (0.50) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL967958 0.81 CA2 (0.50) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL968880 0.81 HTR1A (0.51) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL9153673 0.81 HTR1A (0.66) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL9153669 0.81 HTR1A (0.66) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL7632498 0.81 TDP1 (0.44)
SCHEMBL7634476 0.81 DRD2 (0.39)
SCHEMBL3641960 0.80 CYP1A2 (0.51) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL6918962 0.80 CA2 (0.52) SIGMAR1HTR1AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1182129-C Benzopyran derivatives having leukotriene-antagonistic action ������ʵ���ҹ�˾ 2004-12-29 CN disclosed
EP-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed
CN-1214048-A Benzopyran derivatives having leukotriene-antagonistic action LABROATORIOS MENARINI S A (ES) 1999-04-14 CN disclosed
EP-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed