SCHEMBL19339191

SCHEMBL19339191

CN1CCCN(Cc2ccc3c(c2)CN(C)C3)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHKA P35790 13/20 0.64
CA2 P00918 1/20 0.60
NCF1 P14598 1/20 0.60
PRMT6 Q96LA8 1/20 0.60
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50

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
SCHEMBL12660101 0.94 LMNA (0.56) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12853768 0.90 HRH3 (0.55) CHKACA2NCF1PRMT6KDM4E
SCHEMBL15127542 0.84 CHKA (0.51) CHKACA2NCF1PRMT6KDM4E
SCHEMBL19997251 0.83 HSP90AA1 (0.54) CHKACA2NCF1PRMT6KDM4E
SCHEMBL19675099 0.83 LMNA (0.56) CHKACA2NCF1PRMT6LMNA
SCHEMBL12853700 0.81 SMN1; SMN2 (0.57) NCF1KDM4EHSP90AA1HSP90AB1
SCHEMBL14615038 0.80 CHKA (0.57) CHKACA2NCF1PRMT6KDM4E
SCHEMBL15893964 0.80 HSP90AA1 (0.53) CHKACA2NCF1PRMT6KDM4E
SCHEMBL15127555 0.80 HRH3 (0.50) CHKACA2NCF1PRMT6KDM4E
SCHEMBL25251135 0.79 HSP90AA1 (0.51) CHKACA2NCF1PRMT6LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed