SCHEMBL8583266

SCHEMBL8583266

O=C(Nc1cc(C2CCNCC2)c[nH]1)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.44
NPC1 O15118 9/20 0.44
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
TP53 P04637 2/20 0.41
KCNMA1 Q12791 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL8583210 0.85 HTR1A (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL8585768 0.82 NPC1 (0.52) RAB9ANPC1ALDH1A1TP53KDM4E
SCHEMBL8611280 0.80 OPRM1 (0.49)
SCHEMBL8586465 0.76 HSD17B10 (0.46) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8585459 0.76 HTR1F (0.53) HTR1AHTR1DHTR1BHTR1F
SCHEMBL8586155 0.75 HTR1F (0.45) HTR1F
SCHEMBL8584823 0.74 P2RY14 (0.41) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1844542 0.71 ALDH1A1 (0.72) NPC1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7011205 0.70 HTR1F (0.77) HTR1AHTR1DHTR1BHTR1F
SCHEMBL11463346 0.67 ALDH1A1 (0.57) NPC1ALDH1A1HPGDKMT2A

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