SCHEMBL8714799

SCHEMBL8714799

COc1cc2c(CCCC(=O)NC(C)C)c[nH]c2c(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HCRTR1 O43613 1/20 0.47
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 8/20 0.41
MTNR1B P49286 8/20 0.41
NLRP1 Q9C000 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 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
SCHEMBL8711714 0.86 MPO (0.51) KDM4EMEN1KMT2AHCRTR1MAPT
SCHEMBL8715083 0.85 KDM4E (0.53) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8712074 0.83 MPO (0.47) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL8716716 0.81 KDM4E (0.48) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8717763 0.79 KDM4E (0.46) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7890134 0.76 MTNR1A (0.64) KDM4EMEN1KMT2AHPGDMTNR1A
SCHEMBL7893103 0.76 MTNR1A (0.69) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL8715597 0.73 MTNR1A (0.67) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10909654 0.73 HTR2A (0.57) MEN1KMT2AMAPTCYP1A2NFKB1
SCHEMBL8822717 0.72 MTNR1A (0.58) KDM4EMEN1KMT2AMAPTMTNR1A

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