SCHEMBL7249257

SCHEMBL7249257

COC(=O)c1ccc(CNCCN)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
CYP4A11 Q02928 2/20 0.54
CYP4F2 P78329 1/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
POLB P06746 1/20 0.46
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46

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
SCHEMBL10874890 0.94 LOXL2 (0.60) LOXL2LMNAHPGDCYP4A11CYP4F2
SCHEMBL3310683 0.90 LMNA (0.64) LOXL2LMNAHPGDCYP4A11CYP4F2
SCHEMBL9016956 0.86 LMNA (0.68) LOXL2LMNAHPGDCYP4A11CYP4F2
SCHEMBL4928792 0.85 CYP4A11 (0.66) LOXL2LMNAHPGDCYP4A11CYP4F2
SCHEMBL15270260 0.85 S1PR1 (0.57) LOXL2LMNAHPGDCYP4A11CYP4F2
SCHEMBL13378249 0.85 LMNA (0.59) LOXL2LMNAHPGDCYP4A11CYP4F2
SCHEMBL7251467 0.85 LOXL2 (0.83) LOXL2LMNAHPGDCYP4A11CYP4F2
SCHEMBL28206352 0.85 CYP4A11 (0.60) LOXL2LMNAHPGDCYP4A11CYP4F2
Hydrochloric Acid SCHEMBL15393160 0.84 LMNA (0.66) LOXL2LMNAHPGDCYP4A11CYP4F2
SCHEMBL24140330 0.84 CYP4A11 (0.67) LOXL2LMNAHPGDCYP4A11CYP4F2

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
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed