SCHEMBL7002872

SCHEMBL7002872

NC(=O)NCCNC(=O)c1ccc(Cl)cc1OCC(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.51
FPR3 P25089 1/20 0.47
GPR65 Q8IYL9 1/20 0.47
GPR35 Q9HC97 1/20 0.47
AKR1B1 P15121 2/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6993640 0.93 CCR1 (0.59) CCR1FPR3GPR65GPR35AKR1B1
SCHEMBL6997000 0.88 CCR1 (0.49) CCR1FPR3GPR65GPR35
SCHEMBL7000018 0.85 CCR1 (0.53) CCR1FPR3GPR65GPR35
SCHEMBL7004433 0.84 CCR1 (0.49) CCR1FPR3GPR65GPR35MEN1
SCHEMBL6993588 0.82 CCR1 (0.48) CCR1FPR3GPR65GPR35
SCHEMBL7000591 0.80 CCR1 (0.62) CCR1FPR3GPR65GPR35
SCHEMBL6761988 0.79 CCR1 (0.49) CCR1FPR3GPR65GPR35AKR1B1
SCHEMBL6761986 0.79 CCR1 (0.49) CCR1FPR3GPR65GPR35AKR1B1
SCHEMBL7002150 0.79 CCR1 (0.51) CCR1FPR3GPR65GPR35
SCHEMBL7002694 0.78 FAAH (0.49) CCR1FPR3GPR65GPR35KMT2A

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-1326867-A2 BRIDGED PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-07-16 EP disclosed
WO-2002032901-A2 BRIDGED PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed