SCHEMBL25843217

SCHEMBL25843217

N#Cc1cccc2c1CCC2NS

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.42
▸ S1PR1 P21453 4/20 0.38
▸ CCR2 P41597 2/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAOB P27338 3/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BCHE P06276 1/20 0.33

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
SCHEMBL25843271 1.00 DRD2 (0.42) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL12508446 0.83 PDPK1 (0.50) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL17914139 0.83 DRD2 (0.42) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL16690580 0.83 DRD2 (0.42) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL12509155 0.83 PDPK1 (0.50) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL17914140 0.83 DRD2 (0.42) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL17199240 0.83 DRD2 (0.42) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL22073767 0.83 PDPK1 (0.50) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL22814083 0.83 DRD2 (0.42) DRD2S1PR1CCR2DRD1DRD4
SCHEMBL22032577 0.78 CCR2 (0.40) DRD2S1PR1CCR2DRD4ALDH1A1

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
EP-3630738-B1 PROCESS FOR THE PRODUCTION OF OZANIMOD EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2023-07-19 — — EP disclosed
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