SCHEMBL8484368

SCHEMBL8484368

O=C(CCN1CC[CH]CC1)N1CCN(C2CCNCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KDM1A O60341 1/20 0.40
HRH3 Q9Y5N1 7/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PARP1 P09874 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL24207657 0.80 L3MBTL3 (0.43) ALDH1A1KDM4EKDM1AHRH3ITGB3
SCHEMBL4206170 0.79 KDM1A (0.43) ALDH1A1KDM4EKDM1AHTR1AHTR7
SCHEMBL27485040 0.78 HRH3 (0.46) ALDH1A1KDM4EHRH3
SCHEMBL11490502 0.77 GNAI3 (0.51) ALDH1A1KDM4EHRH3TPSAB1TPSD1
SCHEMBL8479229 0.76 HRH3 (0.35) ALDH1A1KDM4EKDM1AHRH3TPSAB1
SCHEMBL26067161 0.76 ITGB3 (0.54) ALDH1A1KDM4ETPSAB1TPSD1TPSG1
SCHEMBL27486052 0.74 L3MBTL1 (0.49) KDM4EHRH3PARP1
SCHEMBL25960067 0.74 KDM4E (0.46) ALDH1A1KDM4EHRH3PARP1TSHR
SCHEMBL4670272 0.73 GAA (0.49) ALDH1A1KDM4EHRH3PARP1TSHR
SCHEMBL24204316 0.73 L3MBTL3 (0.47) ALDH1A1KDM1AHRH3HTR1AHTR7

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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed