SCHEMBL7684055

SCHEMBL7684055

CCOC(=O)c1c(CN(CC)CC)nc2sc3c(c2c1-c1ccc(OC(C)C)c(OC)c1)CCNC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 2/20 0.43
▸ CACNA1A O00555 2/20 0.43
▸ CACNA1G O43497 2/20 0.43
▸ CACNG3 O60359 2/20 0.43
▸ CACNA1F O60840 2/20 0.43
▸ CACNA1H O95180 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ CACNB3 P54284 2/20 0.43
▸ CACNA2D1 P54289 2/20 0.43
▸ CACNG7 P62955 2/20 0.43
▸ CACNA1B Q00975 2/20 0.43
▸ CACNA1D Q01668 2/20 0.43
▸ CACNB1 Q02641 2/20 0.43
▸ CACNG1 Q06432 2/20 0.43
▸ CACNB2 Q08289 2/20 0.43
▸ CACNA1S Q13698 2/20 0.43
▸ CACNA1C Q13936 2/20 0.43
▸ CACNA1E Q15878 2/20 0.43
▸ CACNA2D4 Q7Z3S7 2/20 0.43
▸ CACNA2D3 Q8IZS8 2/20 0.43

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
SCHEMBL7482718 0.94 CACNB4 (0.48) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7683207 0.88 CACNB4 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7688467 0.84 ADORA1 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7685688 0.84 ADORA1 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7683229 0.82 NPSR1 (0.37) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7489843 0.82 CACNB4 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7486999 0.81 CACNB4 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7489303 0.80 CACNB4 (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7688256 0.80 CACNB4 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7677303 0.80 NPSR1 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403606-B1 ANTIINFLAMMATORY, ANTIARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2002-06-11 — — US disclosed
US-6046189-A ANTI-INFLAMMATORY DRUG, PARTICULARLY, A DRUG FOR PREVENTING OR TREATING ARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-04 — — US disclosed
EP-0900223-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1999-03-10 — — EP disclosed
WO-1997040050-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 — — WO disclosed
Send feedback