SCHEMBL8527698

SCHEMBL8527698

[CH2]c1cn(C(=O)NCC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.44
BCHE P06276 1/20 0.44
GAA P10253 1/20 0.44
CREBBP Q92793 1/20 0.42
BRD4 O60885 1/20 0.41
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CFD P00746 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A2 P43354 1/20 0.39
ASAH1 Q13510 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL8527700 0.84 MEN1 (0.46) NPSR1MAPTBCHEGAACREBBP
SCHEMBL8528867 0.82 KMT2A (0.43) NPSR1MAPTBCHECREBBPKMT2A
SCHEMBL8528830 0.81 SMN1; SMN2 (0.47) KMT2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25779028 0.76 HTR6 (0.52)
SCHEMBL887129 0.76 HTT (0.54) NPSR1MAPTGAACREBBPKMT2A
SCHEMBL6283431 0.76 L3MBTL1 (0.53) MAPTBCHECREBBPKMT2AMEN1
SCHEMBL8076272 0.76 KMT2A (0.67) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL8530588 0.73 KDM4E (0.41) NPSR1MAPTGAAKMT2ACFD
SCHEMBL8089256 0.73 MEN1 (0.44) MAPTBCHEKMT2AMEN1LMNA
SCHEMBL2117436 0.71 NOTUM (0.59) MAPTBCHEGAAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed