SCHEMBL6687783

SCHEMBL6687783

CCCN1CCCN(C(=O)c2ccc(C)c(N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
PARP1 P09874 2/20 0.48
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GRIN2B Q13224 2/20 0.46
CHKA P35790 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PLA2G7 Q13093 1/20 0.45
KDM2B Q8NHM5 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CNR2 P34972 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL6687439 0.93 HPGD (0.46) HPGDPARP1TSHRKMT2AMEN1
SCHEMBL6690538 0.90 HPGD (0.50) HPGDPARP1TSHRKMT2AMEN1
SCHEMBL6687780 0.86 PARP1 (0.46) HPGDPARP1TSHRKMT2AMEN1
SCHEMBL2377312 0.84 ALDH1A1 (0.50) HPGDTSHRKMT2AMEN1ALDH1A1
SCHEMBL6688452 0.83 PARP1 (0.48) HPGDPARP1TSHRKMT2AGRIN2B
SCHEMBL6927396 0.81 PARP1 (0.56) HPGDPARP1TSHRKMT2AMEN1
SCHEMBL10126442 0.81 HPGD (0.68) HPGDTSHRKMT2AALDH1A1MAPT
SCHEMBL3231392 0.80 KMT2A (0.59) HPGDTSHRKMT2AMEN1ALDH1A1
SCHEMBL6687434 0.79 HPGD (0.44) HPGDPARP1TSHRKMT2AMEN1
SCHEMBL6927393 0.79 PARP1 (0.56) HPGDPARP1TSHRKMT2AMEN1

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
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed