SCHEMBL10503182

SCHEMBL10503182

ClCCN(CCOCc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
BCHE P06276 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
ESR1 P03372 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL11465304 0.93 TSHR (0.54) TSHROPRM1OPRD1OPRK1BCHE
SCHEMBL6505489 0.90 TSHR (0.52) TSHRALDH1A1SMN1; SMN2CHRM2CHRM1
SCHEMBL11110263 0.90 TSHR (0.47) TSHROPRM1OPRD1OPRK1BCHE
Hydrochloric Acid SCHEMBL6504351 0.88 TSHR (0.50) TSHRALDH1A1SMN1; SMN2CHRM2CHRM1
SCHEMBL10622030 0.85 HTT (0.49) TSHROPRM1OPRD1OPRK1BCHE
SCHEMBL373667 0.83 OPRM1 (0.48) TSHROPRM1OPRD1OPRK1ALDH1A1
SCHEMBL2248674 0.83 TSHR (0.47) TSHRBCHEHRH3TDP1PPARG
SCHEMBL479112 0.81 OPRM1 (0.47) TSHROPRM1OPRD1OPRK1ALDH1A1
Hydrochloric Acid SCHEMBL144177 0.81 OPRM1 (0.50) TSHROPRM1OPRD1OPRK1ALDH1A1
Bromide SCHEMBL8961491 0.81 OPRM1 (0.47) TSHROPRM1OPRD1OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172632-B1 Benzopyrano[4,3,2-cd]indazole compounds, processes for their production and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1989-08-30 EP disclosed
EP-0114002-B1 BENZOTHIOPYRANO(4,3,2,-CD)INDAZOLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1987-03-04 EP disclosed
US-4604390-A FUNGICIDES, ANTITUMOR AGENTS WARNER-LAMBERT COMPANY (US) 1986-08-05 US disclosed
EP-0172632-A1 Benzopyrano[4,3,2-cd]indazole compounds, processes for their production and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP disclosed
US-4472584-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORPORATION (US) 1984-09-18 US disclosed