SCHEMBL8668013

SCHEMBL8668013

COc1cccc(N(C)C(=O)C(C)Br)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 13/20 0.55
HSD17B1 P14061 12/20 0.55
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50

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
SCHEMBL14518797 0.88 HSD17B2 (0.57) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL29940269 0.88 HSD17B2 (0.57) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264436 0.82 HSD17B2 (0.52) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL28392555 0.82 HSD17B2 (0.55) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264380 0.81 HSD17B2 (0.53) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL29940268 0.81 HSD17B2 (0.53) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL11027897 0.79 HSD17B2 (0.61) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL20264517 0.79 HSD17B2 (0.61) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL10940468 0.78 HSD17B2 (0.60) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL9956630 0.78 HSD17B2 (0.60) HSD17B2HSD17B1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726323-A COMPOUNDS USEFUL FOR ALLEVIATING MEMORY DYSFUNCTIONS HOECHST MARION ROUSSEL, INC. 1998-03-10 US disclosed
US-5591864-A CHEMICAL INTERMEDIATES FOR COMPOUNDS WHICH ALLEVIATE MEMORY DYSFUNCITONS HOECHST MARION ROUSSEL, INC. (US) 1997-01-07 US disclosed
EP-0484573-B1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-03-13 EP disclosed
US-5260452-A 4- and 6-carbamates related to physostigmine and intermediates for the preparation thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-09 US disclosed
EP-0484573-A1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-13 EP disclosed
US-5081117-A Treatment of memory dysfunctions such as in Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-14 US disclosed