SCHEMBL4634528

SCHEMBL4634528

N#CC1(Cc2cccc(Cl)c2)CCN(C(=O)COc2ccc(Br)cc2CC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.45
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.40
PTGER1 P34995 1/20 0.40
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GPR183 P32249 1/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ENPP2 Q13822 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4634398 0.91 RECQL (0.41) PTGDR2RECQLLMNAALDH1A1PTGER1
SCHEMBL4634685 0.91 RECQL (0.45) PTGDR2RECQLLMNAALDH1A1HPGD
SCHEMBL4634364 0.85 PTGDR2 (0.43) PTGDR2RECQLALDH1A1PTGER1HPGD
SCHEMBL4634721 0.83 RECQL (0.43) PTGDR2RECQLLMNAALDH1A1HPGD
SCHEMBL4634373 0.82 CCR1 (0.53) PTGDR2LMNAHPGDNPSR1HTT
SCHEMBL4633816 0.82 RECQL (0.43) RECQLLMNAALDH1A1HPGDNPSR1
SCHEMBL5673235 0.78 RECQL (0.44) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL4634923 0.77 MAPK1 (0.49) PTGDR2RECQLLMNAALDH1A1HPGD
SCHEMBL4634773 0.77 MAPK1 (0.41) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL28123143 0.76 CHRM2 (0.46) ALDH1A1HTTTSHRSMN1; SMN2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP claimed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO claimed
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed