SCHEMBL22073767

SCHEMBL22073767

CNC1CCc2c(C#N)cccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.50
▸ S1PR1 P21453 3/20 0.44
▸ DRD2 P14416 2/20 0.42
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ CCR2 P41597 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 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
SCHEMBL12508446 1.00 PDPK1 (0.50) PDPK1S1PR1DRD2DRD1DRD4
SCHEMBL12509155 1.00 PDPK1 (0.50) PDPK1S1PR1DRD2DRD1DRD4
SCHEMBL25843217 0.83 DRD2 (0.42) S1PR1DRD2DRD1DRD4DRD5
SCHEMBL17914140 0.83 DRD2 (0.42) S1PR1DRD2DRD1DRD4DRD5
SCHEMBL17199240 0.83 DRD2 (0.42) S1PR1DRD2DRD1DRD4DRD5
SCHEMBL17914139 0.83 DRD2 (0.42) S1PR1DRD2DRD1DRD4DRD5
SCHEMBL25843271 0.83 DRD2 (0.42) S1PR1DRD2DRD1DRD4DRD5
SCHEMBL22814083 0.83 DRD2 (0.42) S1PR1DRD2DRD1DRD4DRD5
SCHEMBL16690580 0.83 DRD2 (0.42) S1PR1DRD2DRD1DRD4DRD5
SCHEMBL28748640 0.80 S1PR1 (0.48) S1PR1CCR2

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-2020115200-A1 IMPROVED PROCESS FOR PREPARING OZANIMOD SYNTHON B.V. (NL) 2020-06-11 — — WO disclosed
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