SCHEMBL9739638

SCHEMBL9739638

N#CCCCN1CCC(Nc2nc3ccccc3n2Cc2ccco2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.56
SSTR5 P35346 4/20 0.50
NR4A2 P43354 1/20 0.48
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
EED O75530 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
HLA-A P04439 1/20 0.46
ERBB2 P04626 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
ABCB1 P08183 1/20 0.46

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
SCHEMBL10428896 0.89 KCNH2 (0.55) KCNH2SSTR5NR4A2MEN1MLNR
SCHEMBL9699694 0.86 SSTR5 (0.54) KCNH2SSTR5NR4A2MEN1MLNR
SCHEMBL9739999 0.86 SSTR5 (0.54) KCNH2SSTR5NR4A2MEN1MLNR
Water SCHEMBL10857314 0.83 KCNH2 (0.51) KCNH2SSTR5NR4A2MEN1MLNR
Water SCHEMBL10857307 0.83 KCNH2 (0.51) KCNH2SSTR5NR4A2MEN1MLNR
SCHEMBL9698759 0.83 KCNH2 (0.51) KCNH2SSTR5NR4A2MEN1MLNR
SCHEMBL9742219 0.83 SSTR5 (0.73) KCNH2SSTR5NR4A2MEN1MLNR
SCHEMBL4988156 0.83 KCNH2 (0.57) KCNH2SSTR5NR4A2MEN1MLNR
SCHEMBL9535911 0.83 ALDH1A1 (0.43) KCNH2USP2LMNAGAAMAPT
SCHEMBL9698698 0.81 SSTR5 (0.49) KCNH2SSTR5NR4A2MEN1MLNR

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-5126339-A Antihistamine, antiserotonine JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-30 US disclosed
US-5025014-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-18 US disclosed
US-4888426-A CHEMICAL INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1989-12-19 US disclosed
US-4695569-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1987-09-22 US disclosed