SCHEMBL9565012

SCHEMBL9565012

c1ccc(CCN2CCC(Nc3nc4cncnc4n3Cc3cccs3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.39
KCNH2 Q12809 9/20 0.38
SLC6A9 P48067 1/20 0.38
NR4A2 P43354 1/20 0.37
MEN1 O00255 3/20 0.36
USP2 O75604 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
HTR2A P28223 3/20 0.36
CYP2C19 P33261 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
CYP2D6 P10635 2/20 0.36
MLNR O43193 1/20 0.36
CACNA1F O60840 1/20 0.36
EED O75530 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

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
SCHEMBL9564838 0.90 SSTR5 (0.43) SSTR5KCNH2NR4A2MEN1USP2
SCHEMBL9564905 0.86 CYP1A2 (0.37) SSTR5KCNH2SLC6A9NR4A2MEN1
SCHEMBL9564906 0.85 SSTR5 (0.39) SSTR5KCNH2NR4A2MEN1USP2
SCHEMBL9564929 0.84 SSTR5 (0.57) SSTR5KCNH2NR4A2MEN1USP2
SCHEMBL9564808 0.84 HTR2A (0.38) SSTR5KCNH2NR4A2MEN1USP2
SCHEMBL9564788 0.82 ALDH1A1 (0.38) SSTR5KCNH2SLC6A9MEN1USP2
SCHEMBL9564960 0.80 CYP1A2 (0.43) KCNH2NR4A2MEN1USP2CYP1A2
SCHEMBL9565053 0.79 KCNH2 (0.57) SSTR5KCNH2NR4A2MEN1USP2
Water SCHEMBL9564895 0.78 ALDH1A1 (0.42) MEN1USP2CYP1A2CYP3A4HTR2A
Water SCHEMBL9564898 0.78 ALDH1A1 (0.42) MEN1USP2CYP1A2CYP3A4HTR2A

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-5258380-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1993-11-02 US disclosed
US-5041448-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
EP-0206415-A2 (4-Piperidinylmethyl and -hetero)purines JANSSEN PHARMACEUTICA N.V. (BE) 1986-12-30 EP disclosed