SCHEMBL9739999

SCHEMBL9739999

NCCN1CCC(Nc2nc3ccccc3n2Cc2ccco2)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
USP2 O75604 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
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
CHRM4 P08173 1/20 0.49
ABCB1 P08183 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
SCHEMBL9699694 0.90 SSTR5 (0.54) SSTR5KCNH2NR4A2USP2MEN1
SCHEMBL10506012 0.86 KCNH2 (0.49) SSTR5KCNH2NR4A2USP2MEN1
SCHEMBL9739638 0.86 KCNH2 (0.56) SSTR5KCNH2NR4A2USP2MEN1
SCHEMBL10506004 0.86 KCNH2 (0.47) SSTR5KCNH2NR4A2USP2MEN1
SCHEMBL10428896 0.85 KCNH2 (0.55) SSTR5KCNH2NR4A2USP2MEN1
SCHEMBL9698698 0.85 SSTR5 (0.49) SSTR5KCNH2NR4A2USP2MEN1
SCHEMBL9698759 0.85 KCNH2 (0.51) SSTR5KCNH2NR4A2USP2MEN1
Water SCHEMBL10857314 0.85 KCNH2 (0.51) SSTR5KCNH2NR4A2USP2MEN1
Water SCHEMBL10857307 0.85 KCNH2 (0.51) SSTR5KCNH2NR4A2USP2MEN1
SCHEMBL9385557 0.84 KCNH2 (0.52) SSTR5KCNH2NR4A2USP2MEN1

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 11 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-0151824-B1 N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-04-04 EP disclosed
US-4888426-A CHEMICAL INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1989-12-19 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
US-4588722-A ANTIHISTAMINES, ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1986-05-13 US disclosed
EP-0151824-A2 N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP 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