SCHEMBL9537494

SCHEMBL9537494

Cn1c(=S)n(CCN2CCC(Cc3nc4cccnc4n3Cc3ccc(F)cc3)CC2)c(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.48
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
ENPP2 Q13822 5/20 0.43
LMNA P02545 2/20 0.41
SSTR5 P35346 1/20 0.40
PLK1 P53350 1/20 0.40
CYP2D6 P10635 2/20 0.39
HRH1 P35367 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL9535634 0.91 RAB9A (0.46) TP53MAPTLMNASSTR5CYP2D6
SCHEMBL9540573 0.86 SLC6A9 (0.52) SLC6A9TP53MAPTENPP2LMNA
SCHEMBL9535214 0.86 SLC6A9 (0.41) SLC6A9MAPTLMNA
SCHEMBL9536553 0.85 HTR2A (0.54) SLC6A9MAPTENPP2LMNACYP2D6
SCHEMBL9536214 0.83 SLC18A2 (0.53) SLC6A9TP53MAPTENPP2LMNA
SCHEMBL9537811 0.80 SLC6A9 (0.60) SLC6A9TP53MAPTENPP2LMNA
SCHEMBL9535785 0.79 SLC6A9 (0.58) SLC6A9TP53MAPTENPP2LMNA
SCHEMBL9537085 0.79 SLC6A9 (0.58) SLC6A9TP53MAPTENPP2LMNA
SCHEMBL9535367 0.79 SLC6A9 (0.58) SLC6A9TP53MAPTENPP2LMNA
SCHEMBL9741064 0.79 SSTR5 (0.66) TP53MAPTLMNASSTR5CYP2D6

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