SCHEMBL9130634

SCHEMBL9130634

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(N2CCCC2=O)C1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.67
ABCC8 Q09428 2/20 0.67
KCNJ11 Q14654 2/20 0.67
KCNJ8 Q15842 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
LMNA P02545 1/20 0.67
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL9130641 1.00 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL9130626 1.00 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL11098045 0.97 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL11098051 0.97 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL11098042 0.97 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL10913353 0.91 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL10913348 0.91 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL10913347 0.91 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL10635510 0.89 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL9293755 0.89 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4647670-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-03 US claimed
EP-0093535-B1 NOVEL CHROMENES AND CHROMANS BEECHAM GROUP PLC (GB) 1986-12-30 EP claimed
EP-0120428-A1 Benzopyran isomers BEECHAM GROUP PLC (GB) 1984-10-03 EP claimed
US-5416097-A Potassium channel activators/openers BERLEX LABORATORIES, INC. (US) 1995-05-16 US disclosed
US-4647670-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-03 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-4510152-A Antihypertensive chromenes and chromans BEECHAM GROUP P.L.C. (GB) 1985-04-09 US disclosed
EP-0120428-A1 Benzopyran isomers BEECHAM GROUP PLC (GB) 1984-10-03 EP disclosed
EP-0093535-A1 Novel chromenes and chromans BEECHAM GROUP PLC (GB) 1983-11-09 EP disclosed