SCHEMBL8585459

SCHEMBL8585459

O=C(Nc1cc(C2CCNCC2)c[nH]1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.53
P2RY14 Q15391 5/20 0.45
MELK Q14680 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
ESR1 P03372 1/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL8584661 0.82 HTR1F (0.57) HTR1FCCNA2CDK2CCNA1HTR1D
SCHEMBL8583773 0.82 HTR1F (0.57) HTR1FESR1HTR1DHTR1BHTR1A
SCHEMBL8584823 0.81 P2RY14 (0.41) HTR1FP2RY14HTR1DHTR1BHTR1A
SCHEMBL28778473 0.79 HDAC3 (0.61)
SCHEMBL8584849 0.78 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL28778472 0.78 HDAC3 (0.59)
SCHEMBL8586155 0.77 HTR1F (0.45) HTR1FP2RY14
SCHEMBL8586465 0.76 HSD17B10 (0.46) HTR1FHTR1DHTR1BHTR1A
SCHEMBL8583266 0.76 RAB9A (0.44) HTR1FHTR1DHTR1BHTR1A
SCHEMBL8636423 0.73 HTR1F (0.54) HTR1FP2RY14HTR1DHTR1BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998020875-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed