SCHEMBL8586465

SCHEMBL8586465

O=C(Nc1cc(C2CCNCC2)c[nH]1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL8584823 0.79 P2RY14 (0.41) RAB9ANPC1HPGDCASP3SENP8
SCHEMBL8583266 0.76 RAB9A (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8585459 0.76 HTR1F (0.53) HTR1AHTR1DHTR1BHTR1F
SCHEMBL8586155 0.75 HTR1F (0.45) HTR1F
SCHEMBL359241 0.72 RAB9A (0.74) HSD17B10RAB9ANPC1MEN1KMT2A
SCHEMBL7008621 0.70 HTR1F (0.77) HTR1AHTR1DHTR1BHTR1F
SCHEMBL5867599 0.69 HSD17B10 (0.52) HSD17B10RAB9ANPC1MEN1KMT2A
SCHEMBL229300 0.69 ALDH1A1 (0.51) HSD17B10RAB9ANPC1MEN1KMT2A
SCHEMBL11311286 0.68 RAB9A (0.58) HSD17B10RAB9ANPC1MEN1KMT2A
Bromide SCHEMBL10964629 0.68 ALDH1A1 (0.50) HSD17B10RAB9ANPC1MEN1KMT2A

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