SCHEMBL9621180

SCHEMBL9621180

CC1(C)Oc2ccc(Cl)cc2[C@H](N2CCCC2=O)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 17/20 0.71
ABCC8 Q09428 2/20 0.71
KCNJ11 Q14654 2/20 0.71
KCNJ8 Q15842 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
LMNA P02545 1/20 0.71
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9621189 1.00 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9621182 1.00 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7319009 0.88 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7319016 0.88 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL122345 0.87 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9581581 0.87 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9581590 0.87 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9130135 0.86 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9130144 0.86 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9130150 0.86 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0176689-B1 BENZOPYRAN COMPOUNDS FOR THE TREATMENT OF SMOOTH MUSCLES CONTRACTION BEECHAM GROUP PLC (GB) 1992-04-01 EP claimed
EP-0176689-A2 Benzopyran compounds for the treatment of smooth muscles contraction BEECHAM GROUP PLC (GB) 1986-04-09 EP claimed
US-4446113-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1984-05-01 US claimed
EP-0076075-A1 Pharmaceutically active benzopyran compounds BEECHAM GROUP PLC (GB) 1983-04-06 EP claimed
EP-0120427-B1 3,4-Dihydro-thiaoxo-1-pyrrolidinyl-or piperidinyl-ZH-benzo[b]pyrons BEECHAM GROUP PLC (GB) 1988-12-21 EP disclosed
US-4786639-A ADMINISTERING BENZOPYRAN DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1988-11-22 US disclosed
US-4647670-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-03 US disclosed
EP-0093535-B1 NOVEL CHROMENES AND CHROMANS BEECHAM GROUP PLC (GB) 1986-12-30 EP disclosed
US-4610992-A Trans-4-(2-thiaoxo-1-pyrrolidinyl or piperidinyl)-2H-benzo[b]pyran-3-ol derivatives useful in treating hypertension BEECHAM GROUP P.L.C. (GB) 1986-09-09 US disclosed
EP-0176689-A2 Benzopyran compounds for the treatment of smooth muscles contraction BEECHAM GROUP PLC (GB) 1986-04-09 EP disclosed
US-4510152-A Antihypertensive chromenes and chromans BEECHAM GROUP P.L.C. (GB) 1985-04-09 US disclosed
EP-0120427-A1 3,4-Dihydro-thiaoxo-1-pyrrolidinyl-or piperidinyl-ZH-benzo[b]pyrons BEECHAM GROUP PLC (GB) 1984-10-03 EP disclosed
US-4446113-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1984-05-01 US disclosed
EP-0093535-A1 Novel chromenes and chromans BEECHAM GROUP PLC (GB) 1983-11-09 EP disclosed
EP-0076075-A1 Pharmaceutically active benzopyran compounds BEECHAM GROUP PLC (GB) 1983-04-06 EP disclosed