SCHEMBL23916149

SCHEMBL23916149

C=CCCN(CCC)c1cc(/C=C\C)ccn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 1/20 0.32
HCAR3 P49019 1/20 0.31
CRHR1 P34998 1/20 0.30
AR P10275 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 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
SCHEMBL23916378 0.73
SCHEMBL27876719 0.67 KMT2A (0.38)
SCHEMBL24092520 0.66 CRHR1 (0.42) S1PR1S1PR3HCAR3CRHR1AR
SCHEMBL25456825 0.63 ATG4B (0.36) CRHR1AR
SCHEMBL25925332 0.63 AGTR1 (0.36) HCAR3CRHR1
SCHEMBL3347417 0.62 AR (0.48) AR
SCHEMBL23839470 0.62 AR (0.48) S1PR1S1PR3HCAR3CRHR1AR
SCHEMBL18655174 0.62 CNR1 (0.32) CRHR1
SCHEMBL24092707 0.62 CRHR1 (0.40) HCAR3CRHR1
SCHEMBL13659896 0.61 CRHR1 (0.46) S1PR1S1PR3HCAR3CRHR1AR

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-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed