SCHEMBL3137899

SCHEMBL3137899

O=[C]c1ccc2c(c1)nnn2C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.49
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM1A O60341 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM5 P41594 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 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
SCHEMBL6890786 0.79 ALDH1A1 (0.58) HCAR3MEN1KMT2AALDH1A1LMNA
SCHEMBL10059196 0.79 HCAR3 (0.49) HCAR3MEN1KMT2AALDH1A1LMNA
SCHEMBL4673529 0.79 HCAR3 (0.49) HCAR3MEN1KMT2AALDH1A1LMNA
SCHEMBL20587562 0.76 HCAR3 (0.57) HCAR3MEN1KMT2AALDH1A1LMNA
SCHEMBL2544136 0.76 LMNA (0.56) HCAR3ALDH1A1LMNATSHRRXFP1
SCHEMBL829129 0.75 USP2 (0.52) HCAR3MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL29769997 0.75 SMN1; SMN2 (0.48) HCAR3ALDH1A1LMNATSHRTP53
Hydrochloric Acid SCHEMBL26907902 0.75 SMN1; SMN2 (0.48) HCAR3ALDH1A1LMNATSHRTP53
Hydrochloric Acid SCHEMBL5857416 0.75 LMNA (0.55) HCAR3ALDH1A1LMNATSHRRXFP1
Hydrochloric Acid SCHEMBL829074 0.74 USP2 (0.51) HCAR3MEN1KMT2AALDH1A1LMNA

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-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed