SCHEMBL2125707

SCHEMBL2125707

COc1ccc(N2CCN(C(Cl)C=O)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.52
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
MAPT P10636 3/20 0.40
MLLT1 Q03111 1/20 0.39
PIK3CG P48736 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 1/20 0.35
SLC2A3 P11169 1/20 0.35
ENPP2 Q13822 1/20 0.35
KMT2A Q03164 2/20 0.35
LCAT P04180 1/20 0.35
MEN1 O00255 1/20 0.35
ADORA2A P29274 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34

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
SCHEMBL20148593 0.80 OGA (0.62) OGACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20857050 0.77 TRPV6 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3MLLT1
SCHEMBL23126233 0.76 OGA (0.57) OGACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6884588 0.75 CHRNB2 (0.61) OGACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19627322 0.75 CHRNB2 (0.51) OGACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2353510 0.74 ALDH1A1 (0.47) MAPTSMN1; SMN2KCNH2
SCHEMBL5312452 0.74 CHRNB2 (0.72) OGACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1359572 0.73 CHRNB2 (0.58) OGACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8931633 0.73 CHRNB2 (0.58) OGACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4020437 0.73 ALDH1A1 (0.46) CHRNB2CHRNA4SMN1; SMN2KMT2AKCNH2

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-2443091-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-04-25 EP disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 WO disclosed