SCHEMBL27659306

SCHEMBL27659306

NCCCCC(=O)Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
KMT2A Q03164 9/20 0.51
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
CYP19A1 P11511 1/20 0.45
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
MEN1 O00255 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
RECQL P46063 2/20 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
SCHEMBL8517366 0.98 PRSS1 (0.65) PRSS1PRSS2PRSS3KMT2AEGFR
Hydrochloric Acid SCHEMBL9183990 0.96 PRSS1 (0.63) PRSS1PRSS2PRSS3KMT2AEGFR
Bromide SCHEMBL11186851 0.96 PRSS1 (0.63) PRSS1PRSS2PRSS3KMT2AEGFR
Hydrochloric Acid SCHEMBL11187297 0.96 PRSS1 (0.63) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL1450488 0.94 PRSS1 (0.59) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL27920690 0.93 PRSS1 (0.58) PRSS1PRSS2PRSS3KMT2AEGFR
Hydrochloric Acid SCHEMBL320656 0.93 PRSS1 (0.58) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL43233 0.90 PRSS1 (0.67) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL1603335 0.88 PRSS1 (0.56) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL25297232 0.88 PRSS1 (0.70) PRSS1PRSS2PRSS3KMT2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101380317-B Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV PHARMACEUTICAL CO LTD 2010-12-08 CN claimed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
CN-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed
CN-103243129-A Method for preparing beta-amino acid SUNCHEM SHANGHAI CO LTD 2013-08-14 CN disclosed
CN-1928102-B Resolution method of beta-amino acid ASTATECH CHENGDU PHARMACEUTIACL CO LTD 2011-08-10 CN disclosed
CN-101380317-B Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV PHARMACEUTICAL CO LTD 2010-12-08 CN disclosed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN disclosed
CN-1928102-A Resolution method of beta-amino acid ASTATECH CHENGDU PHARMACEUTIAC (CN) 2007-03-14 CN disclosed