SCHEMBL14186554

SCHEMBL14186554

CCCCN(C)CCCI

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
KDM4C Q9H3R0 8/20 0.38
KDM5A P29375 6/20 0.38
DNM1 Q05193 3/20 0.38
KDM4A O75164 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
CHRM2 P08172 1/20 0.36
GGPS1 O95749 2/20 0.35
FDPS P14324 1/20 0.35
AGTR1 P30556 1/20 0.35
OPRM1 P35372 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL12961489 0.89
SCHEMBL25807553 0.88 CHRM2 (0.43) S1PR2S1PR1S1PR3S1PR5CHRM2
SCHEMBL78617 0.85 DNM1 (0.47) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL16068177 0.84 DNM1 (0.52) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL24415183 0.82
SCHEMBL29580877 0.82 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL29581377 0.82 CA12 (0.47) S1PR2S1PR1S1PR3S1PR5KDM4C
Fluoride SCHEMBL1995826 0.82 DNM1 (0.45) S1PR2S1PR1S1PR3S1PR5KDM4C
Bromide SCHEMBL1993994 0.82 DNM1 (0.50) S1PR2S1PR1S1PR3S1PR5KDM4C
Hydrochloric Acid SCHEMBL1997515 0.82 DNM1 (0.50) S1PR2S1PR1S1PR3S1PR5KDM4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020245446-A1 SYSTEM AND METHOD FOR REAL-TIME MULTICOLOR SHORTWAVE INFRARED FLUORESCENCE IMAGING Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2020-12-10 WO disclosed
WO-2020245447-A1 METHOD AND DEVICE FOR IMAGING FLUORESCENT PROTEINS IN NEAR- AND SHORT-WAVE INFRARED Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2020-12-10 WO disclosed
WO-2008066789-A2 HETEROARYL AMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2008-06-05 WO disclosed