SCHEMBL7300545

SCHEMBL7300545

NCCCc1cccc(C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.48
FOLH1 Q04609 1/20 0.48
MEP1B Q16820 1/20 0.48
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
IDH1 O75874 1/20 0.43
KIF11 P52732 1/20 0.43
HTR6 P50406 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
F10 P00742 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
SCHEMBL8342426 0.89 TAAR1 (0.55) PARP1FOLH1MEP1BLOXL2HTR6
Hydrochloric Acid SCHEMBL28744996 0.87 TAAR1 (0.53) PARP1FOLH1MEP1BLOXL2HTR6
SCHEMBL7556820 0.86 FOLH1 (0.58) FOLH1HTR6
SCHEMBL14629791 0.86 CYP4F2 (0.60) PARP1FOLH1MEP1BCYP4F2CYP4A11
SCHEMBL2822360 0.84 PARP1 (0.50) PARP1FOLH1MEP1BCYP4F2CYP4A11
SCHEMBL5194309 0.84 SPHK2 (0.52) PARP1FOLH1MEP1BCYP4F2CYP4A11
SCHEMBL10669113 0.83 SPHK2 (0.57) PARP1CYP4F2CYP4A11
SCHEMBL3054119 0.81 CYP4F2 (0.62) PARP1FOLH1MEP1BCYP4F2CYP4A11
SCHEMBL10189495 0.81 PARP1 (0.56) PARP1FOLH1MEP1BOPRM1OPRD1
SCHEMBL7462073 0.81 CYP4F2 (0.47) PARP1FOLH1MEP1BCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658538-B1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA INC (US) 1997-10-29 EP disclosed
EP-0329464-B1 System for the closed-loop administration of an exercise simulating agent GENSIA INC (US) 1995-11-02 EP disclosed
US-5460605-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA, INC. (US) 1995-10-24 US disclosed
EP-0658538-A1 Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA, INC. (US) 1995-06-21 EP disclosed
US-5395970-A 1-(3,4-dihydroxyphenyl)-2-(4-(4-hydroxyphenyl)butaylamino)ethanol GENSIA PHARMACEUTICALS, INC. (US) 1995-03-07 US disclosed
US-5286252-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1994-02-15 US disclosed
US-5234404-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1993-08-10 US disclosed
US-5108363-A DIAGNOSIS, EVALUATION AND TREATMENT OF CORONARY ARTERY DISEASE BY EXERCISE SIMULATION USING CLOSED LOOP DRUG DELIVERY OF AN EXERCISE SIMULATING AGENT BETA AGONIST GENSIA PHARMACEUTICALS, INC. (US) 1992-04-28 US disclosed
EP-0329464-A2 System for the closed-loop administration of an exercise simulating agent GENSIA, INC. (US) 1989-08-23 EP disclosed