SCHEMBL7340915

SCHEMBL7340915

CCCCN1CCN=C1CN(c1ccc(Cl)cc1Cl)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
CNR1 P21554 1/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR1 P34998 4/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
LMNA P02545 2/20 0.32
BACE1 P56817 1/20 0.32
KDM2B Q8NHM5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
UBE2M P61081 1/20 0.31

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
SCHEMBL7338260 0.84 CRHR1 (0.39) CRHR1
SCHEMBL7348705 0.76 CYP1A2 (0.39) CRHR1ADRA1AUBE2MDCUN1D1
SCHEMBL12744415 0.73 TSHR (0.43) CNR1TP53NPC1RAB9ASLC6A2
SCHEMBL7341248 0.73 CYP1A2 (0.38) CRHR1LMNAKDM4EKCNH2UBE2M
SCHEMBL7348299 0.71 KMT2A (0.48) RAB9AUBE2MDCUN1D1
SCHEMBL9909358 0.66 NPC1 (0.48) CNR1TP53NPC1RAB9ASLC6A4
SCHEMBL7339944 0.66 CYP1A2 (0.36) LMNAHRH1KCNH2
SCHEMBL4105828 0.63 MEN1 (0.37)
SCHEMBL23902086 0.63 MEN1 (0.39)
SCHEMBL23121057 0.62 CYP1A2 (0.70)

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-0598962-B1 Imidazole derivatives as calcium channel blockers NEUROSEARCH AS (DK) 1999-02-17 EP claimed