SCHEMBL9550595

SCHEMBL9550595

CC1(C)Oc2ccc(C#N)cc2C(NC(=O)c2c[nH]c3ccccc23)C1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 10/20 0.64
▸ ABCB1 P08183 9/20 0.53

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
SCHEMBL9550596 1.00 ABCC9 (0.64) ABCC9ABCB1
SCHEMBL9550594 1.00 ABCC9 (0.64) ABCC9ABCB1
SCHEMBL10504495 0.84 ABCC9 (0.68) ABCC9ABCB1
SCHEMBL10504485 0.84 ABCC9 (0.68) ABCC9ABCB1
SCHEMBL10504505 0.84 ABCC9 (0.68) ABCC9ABCB1
SCHEMBL8335778 0.84 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL8335784 0.84 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL8335788 0.84 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL7479401 0.82 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL7480578 0.82 ABCC9 (0.70) ABCC9ABCB1

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-0126311-B1 BENZOPYRAN DERIVATIVES. BEECHAM GROUP PLC (GB) 1989-09-13 — — EP claimed
US-4571406-A Anti-hypertensive chromans and chromenes BEECHAM GROUP P.L.C. (GB) 1986-02-18 — — US claimed
EP-0126311-A2 Benzopyran derivatives. BEECHAM GROUP PLC (GB) 1984-11-28 — — EP claimed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 — — EP disclosed
EP-0126311-B1 BENZOPYRAN DERIVATIVES. BEECHAM GROUP PLC (GB) 1989-09-13 — — EP disclosed
US-4571406-A Anti-hypertensive chromans and chromenes BEECHAM GROUP P.L.C. (GB) 1986-02-18 — — US disclosed
EP-0126311-A2 Benzopyran derivatives. BEECHAM GROUP PLC (GB) 1984-11-28 — — EP disclosed
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