SCHEMBL6024435

SCHEMBL6024435

CC1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1CN1CCNCC1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.76
CCR1 P32246 14/20 0.70
FPR3 P25089 1/20 0.70
GPR65 Q8IYL9 1/20 0.70
GPR35 Q9HC97 1/20 0.70

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
SCHEMBL4587775 1.00 PTGDR2 (0.76) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4589742 0.90 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL5972323 0.89 CCR1 (0.74) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4586585 0.89 CCR1 (0.74) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4586588 0.89 CCR1 (0.74) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4586578 0.89 CCR1 (0.74) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6250104 0.89 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6250168 0.89 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL4587390 0.89 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35
SCHEMBL6250164 0.89 PTGDR2 (0.73) PTGDR2CCR1FPR3GPR65GPR35

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-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
WO-2005077372-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-25 WO disclosed