SCHEMBL9630174

SCHEMBL9630174

Cc1ccc(Cn2c(NC3CCCN(CCOc4ncccn4)CC3)nc3cccnc32)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 7/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SSTR5 P35346 3/20 0.36
DNMT1 P26358 3/20 0.36
EHMT2 Q96KQ7 3/20 0.36
MLNR O43193 1/20 0.36
CACNA1F O60840 1/20 0.36
EED O75530 1/20 0.36
USP2 O75604 1/20 0.36
ABCB11 O95342 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
HLA-A P04439 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL9629529 0.89 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1KCNH2
SCHEMBL9629492 0.89 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1KCNH2
SCHEMBL9630536 0.89 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1KCNH2
SCHEMBL9687066 0.84 RET (0.39) MEN1KMT2AMAPTALDH1A1SSTR5
SCHEMBL9870928 0.83 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1KCNH2
SCHEMBL9629623 0.83 WHR1 (0.39) MEN1KMT2AMAPTALDH1A1DNMT1
Oxalic Acid SCHEMBL9630637 0.83 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1OPRM1
Oxalic Acid SCHEMBL9630643 0.83 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1OPRM1
Oxalic Acid SCHEMBL9687735 0.82 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1KCNH2
Oxalic Acid SCHEMBL9687737 0.82 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1KCNH2

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
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP 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