SCHEMBL7419651

SCHEMBL7419651

CCC(C)OP(=O)(O)CC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
Hydrochloric Acid SCHEMBL7422701 0.79 GNAO1 (0.39) GNAI3GNAO1GNAI1
SCHEMBL3979978 0.75
SCHEMBL4990902 0.72 ALDH1A1 (0.32)
SCHEMBL7420965 0.72 KDM4E (0.38) ANPEPERAP2
SCHEMBL1251447 0.72 PPARD (0.35)
SCHEMBL2118428 0.70 LAP3 (0.38) ANPEP
SCHEMBL776263 0.69 LAP3 (0.36)
SCHEMBL3187918 0.69 MEN1 (0.52) ANPEPERAP2CPN1CPB2
Hydrochloric Acid SCHEMBL13269112 0.69 LAP3 (0.37) ANPEP
SCHEMBL11745106 0.68 LAP3 (0.34)

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-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed