SCHEMBL9740847

SCHEMBL9740847

NCCN1CCC(Nc2nc3ccccc3n2Cc2cccs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.54
KCNH2 Q12809 12/20 0.53
NR4A2 P43354 1/20 0.52
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
CACNA1F O60840 1/20 0.49
EED O75530 1/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
HLA-A P04439 1/20 0.49
ERBB2 P04626 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL9690910 0.94 EED (0.51) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
Fumaric Acid SCHEMBL9629590 0.87 SSTR5 (0.46) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
SCHEMBL10753371 0.85 SLC6A9 (0.49) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
SCHEMBL9741215 0.85 KCNH2 (0.55) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11471595 0.83 SSTR5 (0.69) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
SCHEMBL9698816 0.82 KCNH2 (0.65) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
SCHEMBL9739999 0.82 SSTR5 (0.54) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
SCHEMBL9564905 0.82 CYP1A2 (0.37) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
SCHEMBL14173608 0.82 KCNH2 (0.57) SSTR5KCNH2NR4A2MAPTSMN1; SMN2
Bromide SCHEMBL10507938 0.82 SSTR5 (0.66) SSTR5KCNH2NR4A2MAPTSMN1; SMN2

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 7 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
EP-0145037-B1 N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-18 EP disclosed
US-4695569-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1987-09-22 US disclosed
US-4634704-A HISTAMINE AND SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-01-06 US disclosed
EP-0145037-A2 N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 EP disclosed
EP-0144101-A2 Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-12 EP disclosed