SCHEMBL9630210

SCHEMBL9630210

Cc1ccc(Cn2c(NC3CCN(CCN)C3)nc3cccnc32)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNH2 Q12809 7/20 0.38
OPRK1 P41145 2/20 0.36
SSTR5 P35346 4/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MLNR O43193 1/20 0.34
CACNA1F O60840 1/20 0.34
USP2 O75604 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.34
HLA-A P04439 1/20 0.34
ERBB2 P04626 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9629492 0.91 MEN1 (0.41) EEDMEN1KMT2AKCNH2OPRK1
SCHEMBL9690678 0.88 MEN1 (0.39) EEDMEN1KMT2AKCNH2OPRK1
SCHEMBL9688954 0.88 MEN1 (0.42) EEDMEN1KMT2AKCNH2OPRK1
SCHEMBL9630161 0.87 MEN1 (0.37) EEDMEN1KMT2AKCNH2OPRK1
SCHEMBL9687066 0.86 RET (0.39) MEN1KMT2ASSTR5MAPTALDH1A1
Fumaric Acid SCHEMBL9629247 0.84 MEN1 (0.40) EEDMEN1KMT2AKCNH2OPRK1
SCHEMBL9690627 0.83 KCNH2 (0.39) EEDMEN1KMT2AKCNH2OPRK1
SCHEMBL9630536 0.83 MEN1 (0.42) EEDMEN1KMT2AKCNH2OPRK1
SCHEMBL9630368 0.83 HRH1 (0.43) EEDMEN1KMT2AKCNH2OPRK1
SCHEMBL9629312 0.82 SLC6A9 (0.47) EEDKCNH2SSTR5MAPTTP53

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