SCHEMBL23716003

SCHEMBL23716003

C/C=C\C(Cl)=C(/N)Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.38
SLC6A4 P31645 2/20 0.37
IDO1 P14902 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL23716202 0.86 CTBP2 (0.38) CTBP2IDO1NPC1RAB9AL3MBTL1
SCHEMBL23715899 0.79 IDO1 (0.37) CTBP2SLC6A4IDO1NPC1RAB9A
SCHEMBL23716099 0.79 ANO1 (0.34) LMNATAAR1
SCHEMBL23715894 0.77 CYP2C9 (0.38) SLC6A4IDO1NPC1RAB9AL3MBTL1
SCHEMBL23715915 0.70 IDO1 (0.35) SLC6A4IDO1NPC1RAB9AL3MBTL1
SCHEMBL27760048 0.69 IDO1 (0.47) CTBP2SLC6A4IDO1NPC1RAB9A
SCHEMBL23716232 0.68 IDO1 (0.36) CTBP2SLC6A4IDO1NPC1RAB9A
SCHEMBL12108029 0.67 TAAR1 (0.43) CTBP2SLC6A4IDO1NPC1RAB9A
SCHEMBL23716034 0.67 IDO1 (0.38) CTBP2SLC6A4IDO1NPC1RAB9A
SCHEMBL16234241 0.65 IDO1 (0.48) SLC6A4IDO1NPC1RAB9ASLC6A2

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed