SCHEMBL6748324

SCHEMBL6748324

COC(=O)c1cc(COCCN2CCN(C(=O)OC(C)(C)C)CC2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.49
HRH1 P35367 3/20 0.49
ACKR3 P25106 2/20 0.40
EPHX2 P34913 5/20 0.39
MCHR1 Q99705 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
CETP P11597 1/20 0.39
CRBN Q96SW2 1/20 0.38
CCR5 P51681 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PKM P14618 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
SLC2A1 P11166 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
SCHEMBL7038825 0.86 NOTCH1 (0.44) CETPCCR5PKMSLC2A1
SCHEMBL6748325 0.81 CHRM3 (0.38) HRH2HRH1MCHR1CCR5SLC2A1
SCHEMBL6318034 0.80 KDM4E (0.46) CETPPKM
SCHEMBL6751488 0.78 CCR5 (0.44) MCHR1CETPCCR5HRH3
SCHEMBL7661439 0.78 NAMPT (0.43) HRH2HRH1
SCHEMBL1632572 0.78 FAAH (0.53) HRH2HRH1MCHR1HTR1ADRD2
SCHEMBL6812071 0.78 GPR119 (0.42) MCHR1CETPHRH3PKMSLC2A1
SCHEMBL6750024 0.78 NOTCH1 (0.44) CETPCCR5PKM
SCHEMBL27459780 0.78 MGLL (0.44) CETPCCR5PKM
SCHEMBL6749986 0.77 GPR119 (0.43) MCHR1HRH3PKMSLC2A1

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-1043310-B1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LTD (JP) 2004-06-09 EP disclosed
US-6706745-B1 THERAPY FOR ANTICOAGULATION PLAYS AN IMPORTANT PART IN THE MEDICAL TREATMENT AND PROPHYLAXIS OF THROMBOEMBOLISMS TEIJIN LIMITED (JP) 2004-03-16 US disclosed