SCHEMBL31395217

SCHEMBL31395217

O=C(O)C1CN(Cc2ccc(CCc3cccnc3)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.74
S1PR5 Q9H228 11/20 0.74
GRK5 P34947 1/20 0.58
CDK8 P49336 1/20 0.58
S1PR3 Q99500 2/20 0.55
S1PR4 O95977 1/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL3027737 0.86 S1PR5 (1.00) S1PR1S1PR5GRK5CDK8S1PR3
SCHEMBL31395248 0.81 HIF1A (0.58) S1PR1S1PR5S1PR3S1PR4ALDH1A1
SCHEMBL21061654 0.80 ALDH1A1 (0.65) S1PR1S1PR5S1PR3S1PR4ALDH1A1
SCHEMBL565212 0.80 S1PR5 (0.87) S1PR1S1PR5GRK5CDK8S1PR3
SCHEMBL51920 0.77 S1PR5 (0.81) S1PR1S1PR5GRK5CDK8S1PR3
SCHEMBL3042076 0.74 S1PR1 (0.77) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3713589 0.74 S1PR5 (0.76) S1PR1S1PR5S1PR3S1PR4SIGMAR1
SCHEMBL16695243 0.74 S1PR5 (0.82) S1PR1S1PR5S1PR3S1PR4SIGMAR1
SCHEMBL5639896 0.74 S1PR5 (0.76) S1PR1S1PR5ALDH1A1SIGMAR1
SCHEMBL3043545 0.73 S1PR1 (1.00) S1PR1S1PR5GRK5CDK8S1PR3

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-2025049767-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed