SCHEMBL5778640

SCHEMBL5778640

CONc1ccc(OCCN2CCC(C)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.64
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH3 Q9Y5N1 7/20 0.54
MAOB P27338 1/20 0.51
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4167205 0.85 PSMB1 (0.60) KDM4EHRH3
SCHEMBL5782622 0.84 SIGMAR1 (0.70) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL11881843 0.82 HRH3 (0.64) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL11880951 0.82 SIGMAR1 (0.63) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL5785769 0.82 GAA (0.60) SIGMAR1KDM4EHRH3SMN1; SMN2
SCHEMBL19234679 0.81 SIGMAR1 (0.73) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL9940278 0.80 SIGMAR1 (0.68) SIGMAR1KDM4EKMT2ARECQLTDP1
SCHEMBL23366756 0.80 SIGMAR1 (0.71) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL4484351 0.80 SIGMAR1 (0.71) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL3866360 0.80 SIGMAR1 (0.71) SIGMAR1KDM4EKMT2ARECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO disclosed