SCHEMBL9300893

SCHEMBL9300893

CCCN(CCC)C(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
MLYCD O95822 1/20 0.50
POLB P06746 1/20 0.48
EGFR P00533 2/20 0.48
ERBB2 P04626 2/20 0.48
TP53 P04637 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRNA3 P32297 1/20 0.42

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
SCHEMBL19623314 0.87 HPGD (0.77) HPGDMLYCDPOLBEGFRERBB2
SCHEMBL9299563 0.87 HPGD (0.76) HPGDMLYCDMEN1KMT2ACHRNA1
SCHEMBL14311715 0.84 HPGD (0.52) HPGDMLYCDEGFRERBB2TP53
SCHEMBL9300210 0.80 PDK2 (0.47) HPGDTP53MEN1KMT2AHDAC1
SCHEMBL3857013 0.79 HPGD (0.53) HPGDMLYCDPOLBEGFRERBB2
SCHEMBL22351334 0.79 HPGD (0.59) HPGDMLYCDEGFRERBB2MEN1
SCHEMBL9694832 0.78 MLYCD (0.72) HPGDMLYCDEGFRERBB2TP53
SCHEMBL7454658 0.78 MLYCD (0.62) HPGDMLYCDPOLBEGFRERBB2
SCHEMBL849656 0.78 HPGD (0.49) HPGDPOLBMEN1KMT2ACHRNA1
SCHEMBL1638498 0.77 TDP1 (0.56) HPGDMLYCDEGFRERBB2TP53

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-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed