SCHEMBL4593628

SCHEMBL4593628

C[C](N1CCCCC1)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MGLL Q99685 2/20 0.41
PHGDH O43175 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR1A P08908 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL828017 0.86 ALDH1A1 (0.45) CYP1A2LMNAALDH1A1MGLLPHGDH
SCHEMBL4714632 0.86 ALDH1A1 (0.45) CYP1A2LMNAALDH1A1MGLLPHGDH
SCHEMBL2258265 0.86 ALDH1A1 (0.45) CYP1A2LMNAALDH1A1MGLLPHGDH
SCHEMBL2256323 0.86 ALDH1A1 (0.45) CYP1A2LMNAALDH1A1MGLLPHGDH
SCHEMBL3437018 0.77 ALDH1A1 (0.75) CYP1A2TDP1LMNAALDH1A1HTT
SCHEMBL21377151 0.75 CYP1A2 (0.81) CYP1A2TDP1LMNAALDH1A1HTT
SCHEMBL24059119 0.74 CYP1A2 (0.44) CYP1A2TDP1LMNAALDH1A1MGLL
SCHEMBL13779904 0.74 CYP1A2 (0.56) CYP1A2TDP1LMNAALDH1A1MGLL
SCHEMBL6997610 0.74 ALDH1A1 (0.70) CYP1A2TDP1LMNAALDH1A1HTT
N-Methylpiperidine SCHEMBL11878290 0.73 LMNA (0.39) CYP1A2TDP1LMNAMGLLPHGDH

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-1904503-A1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-04-02 EP claimed
WO-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 WO claimed
EP-1904503-A1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-04-02 EP disclosed
WO-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 WO disclosed