SCHEMBL24690163

SCHEMBL24690163

Cc1ccc(OCCOc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.43
LIPE Q05469 2/20 0.42
MAPK1 P28482 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
LTA4H P09960 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.39
MAOB P27338 1/20 0.39
PPARA Q07869 1/20 0.39
GABRA5 P31644 1/20 0.38

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
SCHEMBL24690110 0.87 L3MBTL1 (0.42) LIPEMAPK1HPGDTHRBGABRA5
SCHEMBL8737477 0.83 LIPE (0.56) LIPEMAPK1MAPTLMNATHRB
SCHEMBL24690108 0.80 MRGPRX4 (0.47) LIPEMAPTHPGDMAOBGABRA5
SCHEMBL13402167 0.79 DRD2 (0.49) MAPT
SCHEMBL10175173 0.76 EPHX2 (0.46)
SCHEMBL2715216 0.75 L3MBTL1 (0.56) MAPK1MAPT
SCHEMBL10274190 0.74 HPGD (0.54) LIPEMAPK1MAPTLMNAHPGD
SCHEMBL15034210 0.74 PTGDR2 (0.46) MAOB
SCHEMBL8463930 0.74 KDM4E (0.51) LIPEMAPK1MAPTLMNAHPGD
SCHEMBL5077085 0.74 HPGD (0.49) LIPEMAPK1MAPTLMNAHPGD

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-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 WO disclosed