SCHEMBL27165389

SCHEMBL27165389

COc1ccc2cnn(C[C@H]3CCCN3C(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ CHRM2 P08172 3/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ MCHR1 Q99705 3/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ MCHR2 Q969V1 2/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ TFPI2 P48307 1/20 0.40
▸ KDM2B Q8NHM5 5/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ PIM3 Q86V86 1/20 0.38
▸ DAGLB Q8NCG7 1/20 0.38

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
SCHEMBL27204460 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL30816422 0.87 KDM4E (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27204380 0.84 HTR2A (0.43) HTR2AHTR2CCHRM2CHRM1
SCHEMBL27165383 0.84 HTR2A (0.43) HTR2AHTR2CCHRM2CHRM1
SCHEMBL31079472 0.83 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27165646 0.83 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL31079609 0.83 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27165384 0.83 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL27165370 0.83 HTR2A (0.51) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL30816404 0.73 PDE8B (0.44) HTR2AHTR2CHTR2BCHRM2CHRM1

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-2024044848-A1 INDAZOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2024-03-07 — — WO disclosed
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