SCHEMBL5220449

SCHEMBL5220449

NC1CCN(C(=O)n2ccnn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 3/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
CACNA1B Q00975 2/20 0.32
SMYD3 Q9H7B4 2/20 0.32

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
SCHEMBL24937177 0.80 ALDH1A1 (0.44) MGLLCA2
SCHEMBL28323959 0.77 CYP1A2 (0.43) MGLL
SCHEMBL24937179 0.75 KCNH2 (0.53) CA12CA1CA2EPHX1EPHX2
SCHEMBL4240780 0.75 MEN1 (0.47) CA12CA1
SCHEMBL31170520 0.75 CA2 (0.47) MGLLCA12CA1CA2
SCHEMBL1136825 0.74 GNAI3 (0.46) GNAI3GNAO1GNAI1PARP1PARP2
SCHEMBL24937863 0.74 KDM4E (0.48) MGLL
Hydrochloric Acid SCHEMBL1136691 0.72 GNAI3 (0.48) GNAI3GNAO1GNAI1CA2CHRM2
Hydrochloric Acid SCHEMBL1136694 0.72 GNAI3 (0.48) GNAI3GNAO1GNAI1CA2CHRM2
SCHEMBL166053 0.72 FOLH1 (0.32)

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-1773796-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP claimed
WO-2006021655-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO claimed