SCHEMBL20274196

SCHEMBL20274196

O=C(CO)N1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.73
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
F2 P00734 8/20 0.57
DPP4 P27487 1/20 0.55
DPP8 Q6V1X1 1/20 0.55
TPSAB1 Q15661 7/20 0.54
TPSD1 Q9BZJ3 7/20 0.54
TPSG1 Q9NRR2 7/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 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
SCHEMBL15750162 0.85 F2 (0.57) HRH4NPC1RAB9AF2TPSAB1
SCHEMBL23335840 0.81 PIM1 (0.56) HRH4NPC1RAB9AF2TPSAB1
SCHEMBL30578692 0.81 RAB9A (0.74) HRH4NPC1RAB9ADPP4DPP8
SCHEMBL30578705 0.80 RAB9A (0.69) HRH4NPC1RAB9AF2DPP4
SCHEMBL20274139 0.80 HRH4 (0.47) HRH4NPC1RAB9AALDH1A1KDM4E
SCHEMBL4376465 0.79 RAB9A (0.71) HRH4NPC1RAB9ADPP4DPP8
SCHEMBL20274131 0.78 HRH4 (0.48) HRH4NPC1RAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4380447 0.78 RAB9A (0.70) HRH4NPC1RAB9ADPP4DPP8
SCHEMBL4924339 0.76 NPC1 (0.63) HRH4NPC1RAB9ADPP4DPP8
SCHEMBL4917179 0.76 HRH4 (0.68) HRH4NPC1RAB9ADPP4DPP8

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-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed