SCHEMBL9537181

SCHEMBL9537181

NCCN1CCC(Cc2nc3cccnc3n2Cc2ccco2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.49
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
USP2 O75604 4/20 0.37
POLB P06746 3/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 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
SCHEMBL9536805 0.94 SLC6A9 (0.51) SLC6A9PRMT3CARM1PRMT6PRMT1
SCHEMBL9536624 0.87 SLC6A9 (0.47) SLC6A9LMNAALDH1A1MAPK1HPGD
SCHEMBL9537207 0.86 SLC6A9 (0.47) SLC6A9LMNAALDH1A1MAPK1HPGD
SCHEMBL9535315 0.85 ALDH1A1 (0.47) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL4984769 0.85 SLC6A9 (0.48) SLC6A9PRMT3CARM1PRMT6PRMT1
SCHEMBL9537090 0.83 TP53 (0.44) SLC6A9LMNAALDH1A1MAPK1HPGD
SCHEMBL10552371 0.83 SLC6A9 (0.49) SLC6A9LMNAALDH1A1MAPK1HPGD
SCHEMBL9537108 0.83 SLC6A9 (0.69) SLC6A9PRMT3CARM1PRMT6PRMT1
SCHEMBL5013056 0.83 SLC6A9 (0.46) SLC6A9PRMT3CARM1PRMT6PRMT1
SCHEMBL8211327 0.82 SLC6A9 (0.75) SLC6A9LMNAALDH1A1MAPK1HSD17B10

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