SCHEMBL9044815

SCHEMBL9044815

C[CH]CCCc1c(Cl)cccc1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.32
AKR1B1 P15121 1/20 0.32
POLB P06746 3/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL9046887 0.82 TAAR1 (0.39) TAAR1LMNAAKR1B1POLBKDM4E
SCHEMBL9044851 0.82 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9045669 0.79 TAAR1 (0.58) TAAR1POLBKDM4EHTTSMN1; SMN2
SCHEMBL9046829 0.79 EED (0.40) TAAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18419803 0.79 MEN1 (0.43) TAAR1ALDH1A1HSD11B1POLBKDM4E
SCHEMBL9046020 0.78 TAAR1 (0.36) TAAR1AKR1B1POLBKDM4ENPSR1
SCHEMBL9048337 0.78 GABRA1 (0.42) TAAR1ALDH1A1LMNA
SCHEMBL9046158 0.77 GABRA1 (0.42) TAAR1ALDH1A1LMNAGLASMN1; SMN2
SCHEMBL9045166 0.77 GABRA1 (0.33)
SCHEMBL9047171 0.77 TAAR1 (0.35) TAAR1LMNAAKR1B1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed