SCHEMBL9536027

SCHEMBL9536027

c1ccc(CN2CCC(Cc3nc4cccnc4n3Cc3cccs3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.67
ENPP2 Q13822 2/20 0.52
MAPT P10636 8/20 0.45
LMNA P02545 1/20 0.44
CCR3 P51677 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
TP53 P04637 5/20 0.43
POLB P06746 1/20 0.43
OPRK1 P41145 1/20 0.42

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
SCHEMBL9537927 0.89 LMNA (0.55) SLC6A9ENPP2MAPTLMNACCR3
SCHEMBL9537108 0.86 SLC6A9 (0.69) SLC6A9ENPP2MAPTTP53POLB
SCHEMBL9539084 0.86 MEN1 (0.52) SLC6A9MAPTLMNACCR3SIGMAR1
SCHEMBL9535787 0.84 KDM4E (0.55) SLC6A9ENPP2MAPTLMNACCR3
SCHEMBL9538015 0.83 SLC6A9 (0.65) SLC6A9ENPP2MAPTLMNATP53
SCHEMBL9536863 0.83 TP53 (0.54) SLC6A9ENPP2MAPTLMNACCR3
SCHEMBL9535367 0.83 SLC6A9 (0.58) SLC6A9ENPP2MAPTLMNACCR3
SCHEMBL9535122 0.83 SLC6A9 (0.65) SLC6A9ENPP2MAPTTP53POLB
SCHEMBL9540161 0.83 SLC6A9 (0.59) SLC6A9ENPP2MAPTLMNATP53
SCHEMBL9537207 0.83 SLC6A9 (0.47) SLC6A9ENPP2MAPTLMNACCR3

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed