SCHEMBL7756397

SCHEMBL7756397

N#CNC(=Nc1cccc(C(F)(F)F)c1)NC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
EPHX2 P34913 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
MAPT P10636 3/20 0.44
GALR3 O60755 1/20 0.44
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KIF11 P52732 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38

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
SCHEMBL5803661 0.88 KIF11 (0.39) LMNAEPHX2MAPTGALR3KMT2A
SCHEMBL8138719 0.80 KMT2A (0.40) LMNAEPHX2MAPTKMT2ANPSR1
SCHEMBL8138717 0.80 KMT2A (0.40) LMNAEPHX2MAPTKMT2ANPSR1
SCHEMBL10578990 0.79 SMN1; SMN2 (0.41) LMNAEPHX2MAPTKMT2ANPSR1
SCHEMBL10578986 0.79 SMN1; SMN2 (0.41) LMNAEPHX2MAPTKMT2ANPSR1
SCHEMBL7756403 0.79 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7756407 0.79 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7753765 0.75 KMT2A (0.41) LMNAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7753761 0.75 KMT2A (0.41) LMNAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11170784 0.74 SMN1; SMN2 (0.47) LMNAHTR3EHTR3BHTR3AHTR3D

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
US-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US claimed
EP-1077933-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
US-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US disclosed
WO-1999058497-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 WO disclosed