SCHEMBL5745792

SCHEMBL5745792

COc1ccc(C(NC(C)=O)C(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.56
NPSR1 Q6W5P4 1/20 0.50
CNR1 P21554 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
CNR2 P34972 2/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
MAPT P10636 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL11697241 0.88 ATM (0.56) ACACBNPSR1CNR1MEN1KMT2A
SCHEMBL19544669 0.84 ROCK2 (0.48) ACACBNPSR1MEN1KMT2ARAB9A
SCHEMBL4446311 0.80 ACACB (0.82) ACACBCNR1MEN1KMT2A
SCHEMBL4446314 0.80 ACACB (0.82) ACACBCNR1MEN1KMT2A
SCHEMBL9147656 0.79 HPGD (0.54) ACACBMEN1KMT2ARAB9ACNR2
SCHEMBL5746507 0.78 POLB (0.49) MEN1KMT2ACNR2MAPT
SCHEMBL18610229 0.77 TACR3 (0.48) KMT2AMTNR1AMTNR1B
SCHEMBL5744468 0.77 TACR3 (0.48) KMT2AMTNR1AMTNR1B
SCHEMBL890060 0.77 TACR3 (0.48) KMT2AMTNR1AMTNR1B
SCHEMBL7733340 0.76 FAAH (0.60) ACACBNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 EP disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 US disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 EP disclosed