SCHEMBL29948870

SCHEMBL29948870

Cc1cc(C(N)=O)nn1-c1ccc2c(c1)c(C1=CCNCC1)cn2Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.44
▸ HTR1A P08908 3/20 0.38
▸ HTR7 P34969 2/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ KHK P50053 2/20 0.35

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
SCHEMBL20680634 1.00 HTR6 (0.44) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL20696778 0.90 HTR6 (0.44) HTR6HTR1ASCN9AKHK
SCHEMBL20696879 0.87 SCN9A (0.35) SCN9A
SCHEMBL20740778 0.87 HTR6 (0.43) HTR6DRD2SCN9A
SCHEMBL29948714 0.87 SCN9A (0.35) SCN9A
SCHEMBL28386063 0.86 HTR6 (0.35) HTR6DRD2SCN9AKHK
SCHEMBL30534843 0.83 SCN9A (0.39) SCN9A
SCHEMBL20697136 0.83 SCN9A (0.39) SCN9A
SCHEMBL20740768 0.82 HTR6 (0.43) HTR6SCN9A
SCHEMBL30534840 0.82 HTR6 (0.43) HTR6SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997654-B Indole derivatives and uses thereof 诺华股份有限公司 2023-08-15 — — CN claimed
EP-3658546-B1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-10-26 — — EP claimed
CN-110997654-B Indole derivatives and uses thereof 诺华股份有限公司 2023-08-15 — — CN disclosed
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