SCHEMBL3920342

SCHEMBL3920342

Nc1ccc(CN2CCN(CC=O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
ALDH1A1 P00352 3/20 0.59
SIGMAR1 Q99720 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NCF1 P14598 1/20 0.40

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
SCHEMBL10690328 0.84 LMNA (0.80) LMNAALDH1A1SIGMAR1HRH3POLB
SCHEMBL3320391 0.82 HRH3 (0.44) LMNAALDH1A1SIGMAR1HRH3POLB
SCHEMBL7223925 0.82 LMNA (0.61) LMNAALDH1A1SIGMAR1HRH3POLB
SCHEMBL7658856 0.81 SIGMAR1 (0.69) LMNAALDH1A1SIGMAR1POLB
SCHEMBL1018073 0.79 MAPT (0.61) LMNAALDH1A1POLBTDP1
SCHEMBL14617574 0.78 LMNA (0.56) LMNAALDH1A1SIGMAR1HRH3POLB
SCHEMBL5625337 0.77 SIGMAR1 (0.75) LMNAALDH1A1SIGMAR1POLB
SCHEMBL3153045 0.77 ALDH1A1 (0.88) LMNAALDH1A1HRH3POLBTDP1
SCHEMBL54966 0.77 ALDH1A1 (0.96) LMNAALDH1A1HRH3POLBHRH4
SCHEMBL19847092 0.76 GPR183 (0.42) LMNAALDH1A1POLBTSHR

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
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
EP-2038253-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed