SCHEMBL5789643

SCHEMBL5789643

CN1CCN(c2ccccc2OC2CCCN(c3ccc(Br)cc3)C2=O)CC1.CN1CCN(c2ccccc2OC2CCN(c3ccc(Br)cc3)C2=O)CC1.CN1CCN(c2ccccc2OC2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1.CN1CCN(c2ccccc2OC2CCN(c3ccc(N4CCCC4=O)cc3)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
FPR1 P21462 2/20 0.42
ROCK2 O75116 1/20 0.41
F10 P00742 1/20 0.38
MCHR1 Q99705 6/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5759864 0.90 FPR2 (0.50) FPR2KDM4EMAPTFPR1MCHR1
SCHEMBL5760906 0.88 KDM4E (0.52) KDM4EMAPTGFERMEN1KMT2A
SCHEMBL5762686 0.87 FPR2 (0.48) FPR2KDM4EMAPTROCK2MCHR1
SCHEMBL5759972 0.87 KDM4E (0.55) KDM4EMAPTROCK2MCHR1GFER
SCHEMBL5762942 0.87 ROCK2 (0.49) KDM4EMAPTROCK2MCHR1
Hydrochloric Acid SCHEMBL5808241 0.86 FPR2 (0.47) FPR2KDM4EMAPTROCK2MCHR1
SCHEMBL5763072 0.84 ROCK2 (0.55) FPR2KDM4EMAPTFPR1ROCK2
SCHEMBL5761785 0.75 GPR119 (0.48) MAPTMCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL5761228 0.75 DRD2 (0.40) KDM4EMAPTROCK2MCHR1
SCHEMBL5845894 0.73 KDM4E (0.41) FPR2KDM4EMAPTFPR1ROCK2

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-1638932-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS Pfizer Products Inc. (US) 2006-03-29 EP disclosed
WO-2004110994-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS PFIZER PRODUCTS INC. (US) 2004-12-23 WO disclosed