SCHEMBL8807970

SCHEMBL8807970

CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.57
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
FAAH O00519 2/20 0.53
TRPV1 Q8NER1 5/20 0.53
MTNR1A P48039 9/20 0.52
MTNR1B P49286 7/20 0.51
CYP1A2 P05177 3/20 0.51
NOTUM Q6P988 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
HPGD P15428 2/20 0.51
BLM P54132 2/20 0.51
NQO2 P16083 2/20 0.51
MAPT P10636 1/20 0.51
IDO1 P14902 1/20 0.51
SPR P35270 1/20 0.51
NPSR1 Q6W5P4 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
SCHEMBL8806905 0.87 TRPM8 (0.53) KMT2APOLBFAAHTRPV1MTNR1A
SCHEMBL798165 0.86 TRPV1 (0.70) KMT2ATRPV1CYP1A2NOTUMKDM4E
SCHEMBL31077788 0.86 TRPV1 (0.70) KMT2ATRPV1CYP1A2NOTUMKDM4E
SCHEMBL8613795 0.86 TRPV1 (0.55) KMT2APOLBFAAHTRPV1MTNR1A
SCHEMBL8194888 0.85 NOTUM (0.70) TRPV1MTNR1AMTNR1BNOTUMMAPT
SCHEMBL2544150 0.85 HPGD (0.55) KMT2AFAAHTRPV1MTNR1AMTNR1B
SCHEMBL7318352 0.85 MTNR1A (0.70) KMT2AFAAHTRPV1MTNR1AMTNR1B
SCHEMBL7334188 0.84 TRPV1 (0.65) FAAHTRPV1MTNR1AMTNR1BIDO1
SCHEMBL8786780 0.84 FAAH (0.52) KMT2AFAAHTRPV1MTNR1AMTNR1B
SCHEMBL7315015 0.84 TRPV1 (0.57) KMT2AFAAHTRPV1IDO1MEN1

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-0501568-B1 Substituted cyclic sulphamide derivatives MERCK SHARP & DOHME (GB) 1997-08-20 EP disclosed
US-5194440-A Treatment for migraine; selective agonist MERCK SHARP & DOHME LTD. (GB) 1993-03-16 US disclosed
EP-0501568-A1 Substituted cyclic sulphamide derivatives MERCK SHARP & DOHME LTD. (GB) 1992-09-02 EP disclosed