SCHEMBL9687682

SCHEMBL9687682

Cc1ccc(Cn2c(NC3CCN(CCN)CC3)nc3ccccc32)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.52
KCNH2 Q12809 13/20 0.52
NR4A2 P43354 1/20 0.50
MEN1 O00255 1/20 0.50
MLNR O43193 1/20 0.50
CACNA1F O60840 1/20 0.50
EED O75530 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
LMNA P02545 1/20 0.50
HLA-A P04439 1/20 0.50
ERBB2 P04626 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
ABCB1 P08183 1/20 0.50

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
SCHEMBL9690476 0.96 SSTR5 (0.49) SSTR5KCNH2NR4A2MEN1MLNR
Fumaric Acid SCHEMBL9630424 0.89 SSTR5 (0.46) SSTR5KCNH2NR4A2MEN1MLNR
SCHEMBL14198334 0.89 TSHR (0.52) SSTR5KCNH2NR4A2MEN1MLNR
SCHEMBL9385557 0.89 KCNH2 (0.52) SSTR5KCNH2NR4A2MEN1MLNR
SCHEMBL14173615 0.87 SSTR5 (0.51) SSTR5KCNH2NR4A2MEN1MLNR
SCHEMBL9687522 0.87 KCNH2 (0.47) SSTR5KCNH2NR4A2MEN1MLNR
Water SCHEMBL4983352 0.86 KCNH2 (0.51) SSTR5KCNH2NR4A2MEN1MLNR
SCHEMBL9687151 0.86 KCNH2 (0.53) SSTR5KCNH2NR4A2MEN1MLNR
Hydrochloric Acid SCHEMBL4987342 0.85 KCNH2 (0.51) SSTR5KCNH2NR4A2MEN1MLNR
SCHEMBL4987958 0.85 SSTR5 (0.52) SSTR5KCNH2NR4A2MEN1MLNR

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