SCHEMBL4793698

SCHEMBL4793698

CCn1c(Cc2ccc(CC3CCCN3C3CCNC3)cc2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CHIT1 Q13231 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CHI3L1 P36222 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL4889725 0.83 KCNH2 (0.42) KCNH2SMN1; SMN2HTT
SCHEMBL4166236 0.79 MAPK1 (0.43) KCNH2HTT
SCHEMBL4793576 0.77 MEN1 (0.40) KCNH2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3724429 0.76 SLC6A2 (0.50) CHI3L1
SCHEMBL4237634 0.76 SLC6A2 (0.50) CHI3L1
SCHEMBL4791508 0.74 LMNA (0.42) KCNH2MEN1KMT2ALMNAMAPT
SCHEMBL4764354 0.73 POLB (0.41) MEN1KMT2ALMNAMAPTHTT
SCHEMBL4790935 0.73 DRD2 (0.42) KCNH2KMT2ATP53
SCHEMBL4792573 0.70 CNR2 (0.43) KCNH2HTT
SCHEMBL5193918 0.70 HTR3A (0.40) KCNH2CHIT1CHIACHI3L1

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-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 — — EP claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO claimed
Send feedback