SCHEMBL6996044

SCHEMBL6996044

NC(=O)NCC(=O)NCc1cc(Cl)ccc1OCC(=O)N1C2CCC1CC(Cc1ccc(F)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.41
FPR3 P25089 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
GPR35 Q9HC97 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CCR3 P51677 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL6998823 0.85 CCR1 (0.46) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL7000468 0.81 CCR1 (0.47) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6996406 0.81 CCR1 (0.42) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL7000678 0.78 CCR1 (0.50) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL6993764 0.78 CCR1 (0.61) CCR1FPR3GPR65GPR35CCR3
SCHEMBL6993694 0.77 CCR1 (0.43) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL7001038 0.76 MEN1 (0.45) CCR1FPR3GPR65GPR35CCR3
SCHEMBL6997012 0.76 KDM4E (0.52) CCR1SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL6996562 0.75 POLB (0.54) CCR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL6760369 0.72 CCR1 (0.45) CCR1FPR3GPR65GPR35PTGDR2

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