SCHEMBL8527737

SCHEMBL8527737

[CH2]c1cn(CCP(=O)(O)O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
PTPN7 P35236 1/20 0.39
CREBBP Q92793 1/20 0.38
HTR6 P50406 2/20 0.38
CNR2 P34972 7/20 0.36
CNR1 P21554 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
ACP3 P15309 1/20 0.36
CDC25A P30304 1/20 0.35

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
SCHEMBL8526982 0.84 GGPS1 (0.38) S1PR1CREBBPKMT2AACP3
SCHEMBL8527741 0.81 MEN1 (0.52) S1PR1PTPN7CREBBPHTR6CNR2
SCHEMBL8527863 0.76 CREBBP (0.64) CREBBPCDC25A
SCHEMBL8612789 0.75 CNR2 (0.50) CNR2CNR1
SCHEMBL8186050 0.74 ASH1L (0.47) CREBBPCNR2KMT2A
SCHEMBL4603995 0.74 NPSR1 (0.57) PTPN7CNR2CNR1NPSR1
SCHEMBL8531509 0.74 ALDH1A1 (0.40) CREBBPHTR6CNR2CNR1KMT2A
SCHEMBL25193015 0.73 FABP4 (0.55) KMT2A
SCHEMBL3307790 0.72 KMT2A (0.60) KMT2A
SCHEMBL4604311 0.72 CNR2 (0.55) CNR2CNR1NPSR1KMT2A

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