SCHEMBL27204380

SCHEMBL27204380

O=C(O)N1CCCC1Cn1ncc2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ CHRM2 P08172 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CHRM3 P20309 3/20 0.39
▸ KMO O15229 5/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ APOL1 O14791 1/20 0.36

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
SCHEMBL27165383 1.00 HTR2A (0.43) HTR2AHTR2CHDAC1HDAC2CHRM2
SCHEMBL30816404 0.84 PDE8B (0.44) HTR2AHTR2CCHRM2CHRM1CHRM3
SCHEMBL27204460 0.84 HTR2A (0.46) HTR2AHTR2CCHRM2CHRM1
SCHEMBL27165389 0.84 HTR2A (0.46) HTR2AHTR2CCHRM2CHRM1
SCHEMBL27165366 0.81 HTR2A (0.49) HTR2AHTR2CCHRM2CHRM1CHRM3
SCHEMBL27204372 0.81 HTR2A (0.49) HTR2AHTR2CCHRM2CHRM1CHRM3
SCHEMBL23119920 0.73 CPT1A (0.43) —
SCHEMBL23119917 0.72 TBXA2R (0.43) —
SCHEMBL27156794 0.71 AURKA (0.35) —
SCHEMBL27156349 0.71 AURKA (0.35) —

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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