SCHEMBL25423992

SCHEMBL25423992

Cc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2c2nccc(Cl)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
HTR2C P28335 4/20 0.51
KIF11 P52732 12/20 0.47
PDE5A O76074 2/20 0.46
HTR2B P41595 2/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL25424698 0.93 HTR2A (0.51) HTR2AHTR2CKIF11PDE5AHTR2B
SCHEMBL25426227 0.91 KIF11 (0.47) HTR2AHTR2CKIF11PDE5A
SCHEMBL25288120 0.89 HTR2A (0.48) HTR2AHTR2CKIF11PDE5AHTR2B
SCHEMBL25425692 0.88 HTR2C (0.47) HTR2AHTR2CKIF11PDE5AHTR2B
SCHEMBL25423948 0.87 HTR2A (0.55) HTR2AHTR2CKIF11PDE5AHTR2B
SCHEMBL25424450 0.87 HTR2A (0.51) HTR2AHTR2CKIF11PDE5AHTR2B
SCHEMBL25425921 0.87 HTR2A (0.51) HTR2AHTR2CKIF11PDE5AHTR2B
SCHEMBL25423359 0.86 PDE5A (0.42) HTR2AHTR2CKIF11PDE5A
SCHEMBL25423471 0.83 HTR2A (0.51) HTR2AHTR2CKIF11PDE5AHTR2B
SCHEMBL25422019 0.82 KIF11 (0.46) HTR2AHTR2CKIF11PDE5AHTR2B

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-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 WO claimed