SCHEMBL25763567

SCHEMBL25763567

N#Cc1ccc2[nH]cc(CN3CCC(c4ccc(C(=O)CCC5CCN(CC6=CCCCC6)CC5)cc4)CC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.61
▸ HTR1A P08908 13/20 0.55
▸ ACHE P22303 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 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
SCHEMBL25762678 0.86 SLC6A4 (0.82) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL30320098 0.86 SLC6A4 (0.82) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL25762556 0.80 HTR1A (0.83) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL30611348 0.80 HTR1A (0.83) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL30611354 0.79 HTR1A (0.83) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL25762550 0.79 HTR1A (0.83) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL25244597 0.79 HTR1A (0.83) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL25762687 0.76 SLC6A4 (0.75) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL25765303 0.75 HTR1A (0.77) SLC6A4HTR1AACHESLC6A2SLC6A3
SCHEMBL25293431 0.72 HTR1A (0.75) SLC6A4HTR1AACHESLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116915-A1 ACHE/SERT DUAL-TARGET INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 珠海市藤栢医药有限公司 2023-06-29 — — WO disclosed
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