SCHEMBL4737853

SCHEMBL4737853

Cc1nc2c3c(c(C(=O)NCC(F)(F)F)cc2n1C)CCC1(Cc2ccccc2C1)O3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.38
HCN1 O60741 3/20 0.33
NR3C1 P04150 1/20 0.32
GABRA5 P31644 2/20 0.32
MTTP P55157 2/20 0.31
P2RX7 Q99572 1/20 0.31
PTGER4 P35408 2/20 0.31
CFTR P13569 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
NAPEPLD Q6IQ20 1/20 0.31
RORC P51449 1/20 0.30
HCN4 Q9Y3Q4 1/20 0.30
PPARG P37231 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL4734073 0.89 CHIA (0.33) HCN1NR3C1P2RX7HCN4
SCHEMBL4739132 0.87 KDM4E (0.40) PTGESP2RX7NAPEPLD
SCHEMBL4739802 0.86 NPC1 (0.32)
SCHEMBL4739290 0.85 PDE10A (0.33) HCN1HCN4
SCHEMBL4737025 0.84 HPGD (0.40) HCN1CACNA1GCACNA1HCACNA1IHCN4
SCHEMBL4738609 0.83 DHODH (0.36)
SCHEMBL4737882 0.83 RAB9A (0.35)
SCHEMBL4737070 0.81 ALDH1A1 (0.36) GABRA5
SCHEMBL4782354 0.81 KDM4E (0.32)
SCHEMBL4734384 0.79 KMT2A (0.36)

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-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed