SCHEMBL6972604

SCHEMBL6972604

CCCCCNC(=O)C1CCCN1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
PRCP P42785 3/20 0.51
NAAA Q02083 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
FKBP1A P62942 5/20 0.45

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
SCHEMBL5898614 0.86 NPSR1 (0.61) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL9280388 0.86 NPSR1 (0.61) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL21091374 0.86 NPSR1 (0.61) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL11435886 0.84 NPSR1 (0.56) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL6242559 0.83 NPSR1 (0.55) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL6244947 0.83 NPSR1 (0.55) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL9277176 0.82 NPSR1 (0.57) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL9277170 0.82 NPSR1 (0.57) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL9279791 0.81 NPSR1 (0.56) NPSR1PRCPNAAAPOLBTSHR
SCHEMBL9275048 0.81 NPSR1 (0.56) NPSR1PRCPNAAAPOLBTSHR

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
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed