SCHEMBL11963506

SCHEMBL11963506

CC1CN(C(=O)O)CCN1c1cc(Br)ccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 2/20 0.46
▸ SLC6A7 Q99884 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ AVPR1A P37288 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMO Q99835 7/20 0.38
▸ ACACB O00763 1/20 0.38
▸ GSK3B P49841 2/20 0.37

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
SCHEMBL902065 1.00 GRM1 (0.46) GRM1SLC6A7MMP2ADAMTS5AVPR1A
SCHEMBL11963414 1.00 GRM1 (0.46) GRM1SLC6A7MMP2ADAMTS5AVPR1A
SCHEMBL11963206 0.83 GPR119 (0.50) GRM1
SCHEMBL29182666 0.83 GPR119 (0.50) GRM1
SCHEMBL11963207 0.83 GPR119 (0.50) GRM1
SCHEMBL20210781 0.82 HRH3 (0.46) GRM1SLC6A7MMP2ADAMTS5AVPR1A
SCHEMBL18916763 0.82 HRH3 (0.46) GRM1SLC6A7MMP2ADAMTS5AVPR1A
SCHEMBL25232012 0.81 AKR1C3 (0.45) GRM1SLC6A7AVPR1AKDM4ESMO
SCHEMBL25232011 0.81 AKR1C3 (0.45) GRM1SLC6A7AVPR1AKDM4ESMO
SCHEMBL20140855 0.80 GRM1 (0.67) GRM1SLC6A7AVPR1ASMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 — — EP disclosed
Send feedback