SCHEMBL8717027

SCHEMBL8717027

CCCCCn1cc(CCCC(=O)NCC)c2cc(OC(C)C)c(Cl)c(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.36
PPARG P37231 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
BRPF1 P55201 1/20 0.35
TSHR P16473 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.34
MPO P05164 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ADRB2 P07550 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8717348 0.78 MPO (0.38) KDM4EHSD17B10MEN1KMT2AS1PR1
SCHEMBL8711498 0.64 MEN1 (0.41) KDM4EHSD17B10MEN1KMT2AHPGD
SCHEMBL8711714 0.63 MPO (0.51) KDM4EMEN1KMT2AHPGDMTNR1A
SCHEMBL8711715 0.61 MTNR1A (0.53) KDM4EHSD17B10MEN1KMT2AHPGD
SCHEMBL8712366 0.61 MPO (0.46) MEN1KMT2AHPGDTSHRMTNR1A
SCHEMBL8712074 0.60 MPO (0.47) KDM4EMEN1KMT2AHPGDMTNR1A
SCHEMBL8717169 0.59 MTNR1A (0.65) KDM4EHSD17B10MEN1KMT2AHPGD
SCHEMBL3916058 0.58 FAAH (0.95) MEN1KMT2AFAAH
Diethylamine SCHEMBL8398221 0.57 FAAH (0.83) MEN1KMT2AFAAH
N-Ethylpalmitamide SCHEMBL4148137 0.56 FAAH (1.00) MEN1KMT2AFAAH

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
US-5770610-A ADMINISTERING R-(+)-N-(2-METHYL-2-(5-METHOXY-6-CHLOROINDOL-3-YL)ETHYL) ACETAMIDE ELI LILLY AND COMPANY (US) 1998-06-23 US disclosed