SCHEMBL21534833

SCHEMBL21534833

CCC1CCCN1C(=O)c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
RARB P10826 2/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
MCHR1 Q99705 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
GRIN2B Q13224 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
POLB P06746 1/20 0.35
WNT1 P04628 1/20 0.34

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
SCHEMBL21534822 0.87 SPHK1 (0.41) HRH3POLBLMNA
SCHEMBL21534898 0.84 KDM4E (0.40) HRH3POLBLMNA
SCHEMBL21534879 0.83 PDK2 (0.40) POLBLMNA
SCHEMBL21534953 0.81 CHRM4 (0.37) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534846 0.81 CHRM4 (0.44) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL15537661 0.80 PIK3CA (0.44) CHRM2CHRM5CHRM1CHRM3PIK3CA
SCHEMBL15537662 0.80 PIK3CA (0.44) CHRM2CHRM5CHRM1CHRM3PIK3CA
SCHEMBL15539882 0.80 PIK3CA (0.44) CHRM2CHRM5CHRM1CHRM3PIK3CA
SCHEMBL21534994 0.79 MAOB (0.39) HRH3POLBLMNA
SCHEMBL21534991 0.78 CHRM4 (0.40) CHRM4CHRM2CHRM5CHRM1CHRM3

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-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed