SCHEMBL7646368

SCHEMBL7646368

CC(C(=O)O)N(CCCN)CCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.41
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
CPB2 Q96IY4 5/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL7646372 1.00 GABRR1 (0.41) GABRR1GSRRNPEPCPB2LMNA
SCHEMBL3421975 0.86 GABRR1 (0.44) GABRR1GSRRNPEPSLC7A5
SCHEMBL31040415 0.86 PAOX (0.45) LMNAKMT2ACYP1A2TSHRHDAC6
SCHEMBL13165158 0.81 GABRR1 (0.40) GABRR1GSRRNPEPCPB2LMNA
SCHEMBL28856644 0.80 MMP1 (0.42) TSHRHDAC1HDAC2ALDH1A1SLC6A3
SCHEMBL28856645 0.80 MMP1 (0.42) TSHRHDAC1HDAC2ALDH1A1SLC6A3
SCHEMBL8524074 0.78 ACE2 (0.42) KMT2ATSHRHDAC11MEN1ALDH1A1
SCHEMBL10973416 0.78 ACE2 (0.42) KMT2ATSHRHDAC11MEN1ALDH1A1
SCHEMBL8523775 0.78 ACE2 (0.42) KMT2ATSHRHDAC11MEN1ALDH1A1
SCHEMBL30099776 0.78 GABRR1 (0.38) GABRR1GSRLMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455626-B2 SOFTNESS, HIGH DAMPING BRIDGESTONE CORPORATION (JP) 2002-09-24 US claimed
US-20010034393-A1 Gels derived from extending grafted centipede polymers and polypropylene WANG XIAORONG (US) 2001-10-25 US claimed