SCHEMBL15967196

SCHEMBL15967196

O=C(CN1CC2C(CNC(=O)c3cccc(OC(F)(F)F)c3)C2C1)NC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.53
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
MCHR1 Q99705 1/20 0.47
NAMPT P43490 1/20 0.44
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PKM P14618 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM3 P20309 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CHRM4 P08173 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL15967222 0.99 CCR2 (0.52) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL15966994 0.98 CCR2 (0.53) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL15967108 0.96 CCR2 (0.54) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL5513284 0.87 GPR139 (0.52) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL5509346 0.87 CCR2 (0.47) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL4275117 0.86 CCR2 (0.56) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL5513116 0.85 CACNA1H (0.46) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL15967036 0.85 CCR2 (0.46) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL3763868 0.85 SLC6A9 (0.51) CCR2TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL5506757 0.84 NAMPT (0.46) CCR2TAS1R3TAS1R1TAS1R2MCHR1

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
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed