SCHEMBL9537090

SCHEMBL9537090

c1coc(Cn2c(CC3CCNCC3)nc3cccnc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
LMNA P02545 3/20 0.41
SLC6A9 P48067 1/20 0.41
KCNH2 Q12809 1/20 0.39
TSHR P16473 6/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
ENPP2 Q13822 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9540254 0.84 TSHR (0.52) KCNH2TSHRALDH1A1HSD17B10KDM4E
SCHEMBL9537207 0.83 SLC6A9 (0.47) TP53LMNASLC6A9TSHRALDH1A1
SCHEMBL9537181 0.83 SLC6A9 (0.49) TP53LMNASLC6A9TSHRALDH1A1
SCHEMBL9539209 0.82 LMNA (0.55) TP53LMNAKCNH2ENPP2
SCHEMBL9538101 0.81 TP53 (0.47) TP53LMNASLC6A9KCNH2KDM4E
SCHEMBL9540161 0.81 SLC6A9 (0.59) TP53LMNASLC6A9KCNH2ALDH1A1
SCHEMBL9536805 0.81 SLC6A9 (0.51) TP53LMNASLC6A9TSHRALDH1A1
SCHEMBL13186991 0.81 KCNH2 (0.61) TP53LMNAKCNH2MEN1MAPT
SCHEMBL9690875 0.80 TP53 (0.42) TP53LMNASLC6A9KCNH2ALDH1A1
SCHEMBL9698202 0.80 NR4A2 (0.46) TP53LMNAKCNH2TSHRALDH1A1

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