SCHEMBL27449591

SCHEMBL27449591

C=CCN1CCNCC1(Nc1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTR3A P46098 1/20 0.33
HTR2A P28223 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL11757830 0.73 LMNA (0.39) LMNAGAAHTR3AHTR2APOLB
SCHEMBL28269446 0.64 POLB (0.41) LMNAPOLB
SCHEMBL1234460 0.63
SCHEMBL1082344 0.63
SCHEMBL5863813 0.62 OPRM1 (0.42) HTR2A
SCHEMBL14833466 0.62 HTR2A (0.36) HTR3AHTR2A
Methylamine SCHEMBL27471205 0.60 OPRM1 (0.40) HTR2A
SCHEMBL28287844 0.60 OPRM1 (0.37) LMNAGAAHTR2ACYP1A2
SCHEMBL9749001 0.60 NPFFR1 (0.46) HTR2ACYP1A2CYP2C9POLB
SCHEMBL4434037 0.60 HTR2A (0.33) HTR2A

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
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN claimed
CN-1114596-C Biphenyl derivatives EISAI CO LTD (JP) 2003-07-16 CN disclosed
CN-1290700-A Phenyl piperazine derivatives EISAI LTD (JP) 2001-04-11 CN disclosed
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN disclosed