SCHEMBL8609638

SCHEMBL8609638

CC(=O)NCC1CN(c2cc(F)c(-c3cccnc3)c(F)c2)C(=O)O1.CS(=O)(=O)O

nearest known ligand 0.66

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 4/20 0.53
MAOA P21397 5/20 0.53
CALML3 P27482 2/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
ABCB11 O95342 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL7944580 0.96 MAOA (0.56) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL8484607 0.86 MAOA (0.66) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL7949645 0.86 MAOA (0.66) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL7938079 0.85 ABCB11 (0.48) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL8489333 0.85 MAOA (0.60) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL7947008 0.85 MAOA (0.60) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL2894962 0.85 MAOA (0.46) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL7945894 0.85 MAOA (0.62) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL9368026 0.85 MAOA (0.47) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL7938115 0.84 MAOA (0.46) MAOAMAOBCALML3PTGS1SDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929248-A Substituted heteroarylphenyloxazolidinones PHARMACIA & UPJOHN COMPANY (US) 1999-07-27 US disclosed
US-5801246-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1998-09-01 US disclosed
US-5756732-A Substituted heteroarylphenyloxazolidinones PHARMACIA & UPJOHN COMPANY (US) 1998-05-26 US disclosed
US-5654428-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1997-08-05 US disclosed
US-5565571-A BACTERICIDES THE UPJOHN COMPANY (US) 1996-10-15 US disclosed