SCHEMBL9564808

SCHEMBL9564808

Cc1ccc(Cn2c(NC3CCN(CCc4ccccn4)CC3)nc3cncnc32)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
HTR4 Q13639 2/20 0.38
SSTR5 P35346 2/20 0.38
KCNH2 Q12809 13/20 0.37
MEN1 O00255 1/20 0.37
MLNR O43193 1/20 0.37
CACNA1F O60840 1/20 0.37
EED O75530 1/20 0.37
USP2 O75604 1/20 0.37
ABCB11 O95342 1/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
HLA-A P04439 1/20 0.37
ERBB2 P04626 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37

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 0.88 SSTR5 (0.43) HTR2AHTR4SSTR5KCNH2MEN1
SCHEMBL9564906 0.87 SSTR5 (0.39) HTR2AHTR4SSTR5KCNH2MEN1
SCHEMBL9565012 0.84 SSTR5 (0.39) HTR2AHTR4SSTR5KCNH2MEN1
SCHEMBL9564929 0.83 SSTR5 (0.57) HTR2ASSTR5KCNH2MEN1MLNR
SCHEMBL9564990 0.79 NR4A2 (0.40) KCNH2MEN1USP2LMNACYP1A2
SCHEMBL9565053 0.79 KCNH2 (0.57) HTR2ASSTR5KCNH2MEN1MLNR
SCHEMBL9565023 0.79 USP2 (0.43) USP2HTR1AADRA2ADRD2ADRA2B
SCHEMBL9301809 0.77 SSTR5 (0.51) HTR2ASSTR5KCNH2MEN1MLNR
SCHEMBL9564774 0.77 ALDH1A1 (0.44) MEN1LMNAMAPTHTTKMT2A
SCHEMBL9687066 0.77 RET (0.39) SSTR5MEN1TP53MAPTKMT2A

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