SCHEMBL9629504

SCHEMBL9629504

CN1CCCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.59
KCNH2 Q12809 6/20 0.57
NR4A2 P43354 2/20 0.56
EED O75530 2/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
CYP2D6 P10635 2/20 0.55
CHRM1 P11229 2/20 0.55
HRH1 P35367 2/20 0.55
MEN1 O00255 1/20 0.55
MLNR O43193 1/20 0.55
CACNA1F O60840 1/20 0.55
USP2 O75604 1/20 0.55
ABCB11 O95342 1/20 0.55
EGFR P00533 1/20 0.55
HLA-A P04439 1/20 0.55
ERBB2 P04626 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
LCK P06239 1/20 0.55

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
SCHEMBL9681405 0.88 SSTR5 (0.71) SSTR5KCNH2NR4A2EEDLMNA
SCHEMBL9630125 0.87 VDR (0.48) SSTR5KCNH2NR4A2EEDLMNA
SCHEMBL10529762 0.86 SSTR5 (0.78) SSTR5KCNH2NR4A2EEDLMNA
Hydrochloric Acid SCHEMBL11271737 0.86 SSTR5 (0.68) SSTR5KCNH2NR4A2EEDLMNA
Fumaric Acid SCHEMBL9630956 0.83 SSTR5 (0.65) SSTR5KCNH2NR4A2EEDLMNA
SCHEMBL9682069 0.81 SSTR5 (0.65) SSTR5KCNH2NR4A2EEDLMNA
SCHEMBL9387373 0.80 SSTR5 (0.46) SSTR5KCNH2NR4A2EEDLMNA
SCHEMBL9631290 0.80 SSTR5 (0.72) SSTR5KCNH2NR4A2EEDLMNA
SCHEMBL14098264 0.80 KCNH2 (0.53) SSTR5KCNH2NR4A2EEDLMNA
SCHEMBL1151661 0.79 SSTR5 (0.60) SSTR5KCNH2NR4A2EEDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed