SCHEMBL7003148

SCHEMBL7003148

O=C(O)c1cc2ccccc2cc1OCC(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.46
S1PR5 Q9H228 2/20 0.45
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CCR3 P51677 1/20 0.39
FPR3 P25089 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MAOB P27338 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
SCHEMBL7000591 0.85 CCR1 (0.62) CCR1S1PR5FPR3GPR65GPR35
SCHEMBL7000018 0.85 CCR1 (0.53) CCR1S1PR5FPR3GPR65GPR35
SCHEMBL7000803 0.82 CCR1 (0.40) CCR1S1PR5CCR3FPR3GPR65
SCHEMBL7144980 0.82 CCR1 (0.61) CCR1S1PR5FPR3GPR65GPR35
SCHEMBL6997000 0.79 CCR1 (0.49) CCR1S1PR5FPR3GPR65GPR35
SCHEMBL5055476 0.77 CCR1 (0.75) CCR1FPR3GPR65GPR35
SCHEMBL5055487 0.77 CCR1 (0.75) CCR1FPR3GPR65GPR35
SCHEMBL5055470 0.77 CCR1 (0.75) CCR1FPR3GPR65GPR35
SCHEMBL7004433 0.77 CCR1 (0.49) CCR1MEN1KMT2AFPR3GPR65
SCHEMBL6994339 0.77 CCR1 (0.48) CCR1S1PR5

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