SCHEMBL9535911

SCHEMBL9535911

N#CCCCN1CCC(Cc2nc3ccccc3n2Cc2ccco2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.38
SLC6A9 P48067 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
GRM2 Q14416 1/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 1/20 0.36
TRPC4 Q9UBN4 1/20 0.36
TRPC5 Q9UL62 1/20 0.36

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
SCHEMBL9537714 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2TSHRHSD17B10
SCHEMBL9535315 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2TSHRHSD17B10
SCHEMBL9537470 0.85 KDM4E (0.50) ALDH1A1KDM4EUSP2TSHRHSD17B10
SCHEMBL9739638 0.83 KCNH2 (0.56) USP2MAPTGAADRD2DRD4
SCHEMBL9539854 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2TSHRHSD17B10
SCHEMBL9536904 0.82 RAB9A (0.50) USP2MAPTGAASLC6A9DRD2
SCHEMBL9538853 0.81 P2RX7 (0.49) USP2DRD2DRD3LMNAKCNH2
SCHEMBL9536425 0.81 KDM4E (0.43) ALDH1A1KDM4EUSP2TSHRHSD17B10
SCHEMBL9536155 0.80 USP2 (0.42) ALDH1A1KDM4EUSP2TSHRHSD17B10
SCHEMBL9536165 0.80 CCR3 (0.56) ALDH1A1KDM4EUSP2HSD17B10MAPT

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 3 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