SCHEMBL7860293

SCHEMBL7860293

Cn1c(NC2CCNC(Cc3ccccc3)C2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
NR4A2 P43354 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
SSTR5 P35346 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7860295 1.00 KCNH2 (0.43) KCNH2NR4A2ALDH1A1TAAR1SSTR5
SCHEMBL7854950 0.84 KDM4E (0.45) KCNH2NR4A2KMT2A
SCHEMBL7854951 0.84 KDM4E (0.45) KCNH2NR4A2KMT2A
SCHEMBL7861589 0.82 KCNH2 (0.70) KCNH2NR4A2ALDH1A1SSTR5LMNA
SCHEMBL7861587 0.82 KCNH2 (0.70) KCNH2NR4A2ALDH1A1SSTR5LMNA
SCHEMBL7865204 0.81 KCNH2 (0.48) KCNH2NR4A2ALDH1A1SSTR5LMNA
SCHEMBL7862726 0.81 KCNH2 (0.46) KCNH2NR4A2SSTR5LMNAKMT2A
SCHEMBL7865206 0.81 KCNH2 (0.48) KCNH2NR4A2ALDH1A1SSTR5LMNA
Oxalic Acid SCHEMBL7864912 0.81 HRH1 (0.45) KCNH2NR4A2ALDH1A1
Oxalic Acid SCHEMBL7864914 0.81 HRH1 (0.45) KCNH2NR4A2ALDH1A1

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-0869955-B1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed