SCHEMBL9876847

SCHEMBL9876847

Cc1occc1Cn1c(NC2CCNCC2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.61
NR4A2 P43354 2/20 0.61
SOS1 Q07889 1/20 0.47
SSTR5 P35346 6/20 0.45
LMNA P02545 4/20 0.41
CYP1A2 P05177 2/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MLNR O43193 1/20 0.41
CACNA1F O60840 1/20 0.41
EED O75530 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
HLA-A P04439 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL9876975 0.85 NR4A2 (0.44) KCNH2NR4A2SOS1LMNACYP1A2
SCHEMBL7984722 0.84 KCNH2 (0.60) KCNH2NR4A2SOS1SSTR5LMNA
SCHEMBL4982569 0.83 SSTR5 (0.52) KCNH2NR4A2SSTR5LMNACYP1A2
SCHEMBL5110805 0.82 KCNH2 (0.65) KCNH2NR4A2SOS1SSTR5LMNA
SCHEMBL7500613 0.82 KCNH2 (0.65) KCNH2NR4A2SSTR5LMNAALDH1A1
SCHEMBL9687041 0.81 KDM4E (0.52) SSTR5LMNAGAAALDH1A1HTT
SCHEMBL9697200 0.80 KCNH2 (0.62) KCNH2NR4A2SOS1SSTR5LMNA
SCHEMBL11265895 0.80 KCNH2 (0.83) KCNH2NR4A2SOS1SSTR5LMNA
Bromide SCHEMBL11305424 0.79 KCNH2 (0.81) KCNH2NR4A2SOS1SSTR5LMNA
SCHEMBL7988153 0.79 KCNH2 (0.70) KCNH2NR4A2SOS1SSTR5LMNA

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
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