SCHEMBL9428496

SCHEMBL9428496

CCCC[CH]C(=O)NC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
FAAH O00519 3/20 0.38
SOAT1 P35610 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.36
TSHR P16473 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL9429318 0.94 MAPT (0.50) MAPTRAB9ANPSR1FAAHSOAT1
SCHEMBL9428766 0.87 MAPT (0.46) MAPTRAB9ANPSR1FAAHSOAT1
SCHEMBL9428312 0.78
SCHEMBL5203612 0.76
SCHEMBL196011 0.75
Hexane SCHEMBL27799263 0.74 MAPT (0.48) MAPTRAB9ANPSR1FAAHSOAT1
SCHEMBL497464 0.74 FAAH (0.43) FAAHCNR1TSHRF7F3
SCHEMBL3081072 0.73 MAPT (0.35) MAPTRAB9ANPSR1CYP1A2CRBN
SCHEMBL497830 0.72 ZDHHC20 (0.47) CNR1TSHRZDHHC20ZDHHC2EPHX1
Heptane SCHEMBL27707941 0.72 EPHX1 (0.48) MAPTRAB9ANPSR1FAAHSOAT1

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-5306816-A Processes for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
EP-0499196-A1 Intermediates and process for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-19 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed