Sugi Predict

Sugi Predict / Compounds / SCHEMBL23769140

SCHEMBL23769140

SCHEMBL23769140

C=Cc1ccc(N2CC3CC3C2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.38
▸ SMPD3 Q9NY59 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.32
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ ADRB2 P07550 1/20 0.30

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
SCHEMBL23753985 0.84 PDE10A (0.38) PDE10ASMPD3HRH3MAPK3MAPK1
SCHEMBL29906596 0.76 ALDH1A1 (0.35) PDE10ASMPD3MAPK1HTR3A
SCHEMBL23754179 0.76 ALDH1A1 (0.35) PDE10ASMPD3MAPK1HTR3A
SCHEMBL23769667 0.76 PDE10A (0.36) PDE10ASMPD3
SCHEMBL23769144 0.72 SMPD3 (0.38) PDE10ASMPD3HRH3
SCHEMBL21712992 0.70 SMPD3 (0.39) PDE10ASMPD3
SCHEMBL23769283 0.69 PDE10A (0.38) PDE10ASMPD3
SCHEMBL23769666 0.69 PDE10A (0.38) PDE10ASMPD3
SCHEMBL23769659 0.69 SMPD3 (0.35) PDE10ASMPD3
SCHEMBL30556662 0.68 HTR3E (0.56) PDE10ASMPD3HTR3A

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-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 — — WO disclosed