SCHEMBL4429138

SCHEMBL4429138

N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
HTR2B P41595 4/20 0.46
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPY5R Q15761 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3213543 1.00 KDM4E (0.46) KDM4EMAPTGFERHTR2BPOLB
SCHEMBL14192852 1.00 KDM4E (0.46) KDM4EMAPTGFERHTR2BPOLB
Hydrochloric Acid SCHEMBL3215136 0.99 KDM4E (0.48) KDM4EMAPTGFERHTR2BPOLB
SCHEMBL2674802 0.86 HTR2B (0.55) KDM4EMAPTGFERHTR2BPOLB
SCHEMBL6756134 0.82 NPC1 (0.59) KDM4EMAPTGFERHTR2BPOLB
SCHEMBL6756130 0.82 NPC1 (0.47) KDM4EHTR2BPOLBNPC1RAB9A
SCHEMBL20677809 0.82 ALDH1A1 (0.52) KDM4EMAPTHTR2BPOLBNPC1
SCHEMBL724921 0.81 NPC1 (0.62) KDM4EMAPTGFERHTR2BPOLB
SCHEMBL6757201 0.81 NPC1 (0.62) KDM4EMAPTGFERHTR2BPOLB
SCHEMBL29466314 0.80 NPC1 (0.51) HTR2BPOLBNPC1RAB9A

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-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 EP disclosed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed