SCHEMBL23716167

SCHEMBL23716167

CNC(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.47
BRD4 O60885 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ROCK2 O75116 3/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NPC1 O15118 1/20 0.42
CNR2 P34972 2/20 0.42
ADRB2 P07550 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GABBR2 O75899 2/20 0.40
GABBR1 Q9UBS5 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL15787297 0.82 LMNA (0.47) ROCK2CNR2ALDH1A1LMNACNR1
SCHEMBL7490455 0.82 FFAR2 (0.49) FFAR2BRD4HDAC4HDAC7HDAC5
SCHEMBL15787344 0.82 LMNA (0.47) ROCK2CNR2ALDH1A1LMNACNR1
SCHEMBL13710928 0.81 HDAC3 (0.44) HDAC4HDAC7HDAC5ROCK2CNR2
SCHEMBL5089604 0.80 LMNA (0.44) ALDH1A1LMNACYP3A4NFKB1CNR1
SCHEMBL10090088 0.80 LMNA (0.44) ALDH1A1LMNACYP3A4NFKB1CNR1
SCHEMBL12797154 0.80 LMNA (0.44) ALDH1A1LMNACYP3A4NFKB1CNR1
SCHEMBL6203749 0.79 MDM2 (0.50) FFAR2BRD4HDAC4HDAC7HDAC5
SCHEMBL23716154 0.79 ROCK2 (0.48) ROCK2ADRB2
SCHEMBL13710935 0.79 ROCK2 (0.48) ROCK2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641844-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-11-01 CN disclosed
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed