SCHEMBL8716716

SCHEMBL8716716

CC(C)NC(=O)CCCc1c[nH]c2c(F)c(Cl)c(OC(C)(C)C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HCRTR1 O43613 1/20 0.41
MPO P05164 3/20 0.39
HPGD P15428 4/20 0.38
NLRP1 Q9C000 1/20 0.38
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
TNF P01375 1/20 0.34
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 2/20 0.33
S1PR1 P21453 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32

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
SCHEMBL8717763 0.86 KDM4E (0.46) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8715083 0.83 KDM4E (0.53) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8714799 0.81 KDM4E (0.53) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8717501 0.76 MPO (0.53) KDM4EMEN1KMT2AHCRTR1MPO
SCHEMBL10905707 0.68 MTNR1A (0.65) KDM4EALDH1A1MEN1KMT2AMPO
SCHEMBL8711714 0.67 MPO (0.51) KDM4EMEN1KMT2AHCRTR1MPO
SCHEMBL8711894 0.67 MPO (0.53) MPOHPGDMTNR1AMTNR1B
SCHEMBL23417935 0.66 ALDH1A1 (1.00) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8715597 0.65 MTNR1A (0.67) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8712074 0.64 MPO (0.47) KDM4EMEN1KMT2AMPOHPGD

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