SCHEMBL7107852

SCHEMBL7107852

Cc1cnc(O[C@@H]2CCN(C(=O)O)C2)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
HMOX1 P09601 1/20 0.40
SMYD3 Q9H7B4 1/20 0.37
PIK3CD O00329 14/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
PIK3CA P42336 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3R1 P27986 2/20 0.36
RIPK1 Q13546 1/20 0.36
PIK3CB P42338 1/20 0.35
PIK3CG P48736 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
SCHEMBL5267504 0.92 HRH3 (0.43) HRH3SMYD3P2RX3P2RX2SMN1; SMN2
SCHEMBL5673329 0.84 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5271540 0.78 GPR119 (0.52) PIK3CDP2RX3P2RX2
SCHEMBL5266004 0.75 SCD5 (0.35) HMOX1
SCHEMBL17823854 0.74 P2RX3 (0.55) P2RX3P2RX2
SCHEMBL8083989 0.74 NOS1 (0.40) HRH3SMYD3P2RX3P2RX2SMN1; SMN2
SCHEMBL28930197 0.73 PIK3CD (0.45) HRH3HMOX1PIK3CDPIK3CAPIK3CB
SCHEMBL28930198 0.73 PIK3CD (0.45) HRH3HMOX1PIK3CDPIK3CAPIK3CB
SCHEMBL1739282 0.73 EPHX2 (0.52) HMOX1RIPK1
SCHEMBL17654137 0.72 GLS (0.45) HMOX1SMN1; SMN2RIPK1

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-1347990-A2 PEPTIDE MIT INHIBIERENDER AKTIVITÄT ZUR PRODUKTION VON STICKSTOFFMONOXID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-01 EP disclosed
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 WO disclosed