SCHEMBL9687001

SCHEMBL9687001

CN1CCC(Nc2nc3ccccc3n2Cc2cnccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.50
SSTR5 P35346 5/20 0.49
EED O75530 2/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1F O60840 1/20 0.47
USP2 O75604 1/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
HLA-A P04439 1/20 0.47
ERBB2 P04626 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
ABCB1 P08183 1/20 0.47
ADRB1 P08588 1/20 0.47

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
Bromide SCHEMBL9698321 0.85 KCNH2 (0.61) KCNH2SSTR5LMNAGAAOPRK1
SCHEMBL9631586 0.84 KCNH2 (0.50) KCNH2SSTR5EEDMEN1MLNR
Bromide SCHEMBL10428854 0.83 NOS2 (0.52) SSTR5MEN1LMNAGAAMAPT
SCHEMBL1152441 0.83 KCNH2 (0.72) KCNH2SSTR5EEDMEN1MLNR
Bromide SCHEMBL9698287 0.83 NOS2 (0.51) KCNH2SSTR5MEN1LMNAGAA
SCHEMBL9688967 0.82 KCNH2 (0.52) KCNH2SSTR5EEDMEN1MLNR
SCHEMBL9630444 0.82 KCNH2 (0.55) KCNH2SSTR5OPRK1HTR6NR4A2
SCHEMBL14098264 0.82 KCNH2 (0.53) KCNH2SSTR5EEDMEN1MLNR
SCHEMBL9629231 0.81 EED (0.47) KCNH2SSTR5EEDMEN1MLNR
SCHEMBL9681405 0.81 SSTR5 (0.71) KCNH2SSTR5EEDMEN1MLNR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
US-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed
US-4897401-A N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases JANSSEN PHARMACEUTICAL N.V. (BE) 1990-01-30 US disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed