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SCHEMBL7435748

SCHEMBL7435748

Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(N)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 12/20 0.78
▸ EDNRA P25101 12/20 0.78
▸ TACR1 P25103 4/20 0.49
▸ MCL1 Q07820 2/20 0.45
▸ BCL2 P10415 1/20 0.45
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL27456967 0.95 EDNRB (0.80) EDNRBEDNRATACR1MCL1
SCHEMBL7446167 0.95 EDNRB (0.83) EDNRBEDNRATACR1MCL1BCL2
SCHEMBL7445711 0.94 EDNRB (0.78) EDNRBEDNRATACR1
SCHEMBL7441130 0.92 EDNRB (0.75) EDNRBEDNRATACR1MCL1BCL2
SCHEMBL7437360 0.92 EDNRB (0.79) EDNRBEDNRATACR1MCL1BCL2
SCHEMBL7442424 0.92 EDNRB (0.74) EDNRBEDNRATACR1MCL1BCL2
SCHEMBL7439575 0.91 EDNRB (0.74) EDNRBEDNRATACR1MCL1BCL2
SCHEMBL7439798 0.90 EDNRB (0.76) EDNRBEDNRATACR1MCL1BCL2
SCHEMBL27456962 0.90 EDNRB (0.76) EDNRBEDNRATACR1MCL1BCL2
SCHEMBL8721117 0.89 EDNRB (0.76) EDNRBEDNRATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 — — WO claimed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 — — WO disclosed