SCHEMBL8717501

SCHEMBL8717501

CCNC(=O)CCCc1c[nH]c2c(F)c(Cl)c(OCC)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.53
MTNR1A P48039 8/20 0.39
MTNR1B P49286 6/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCRTR1 O43613 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8711894 0.84 MPO (0.53) MPOMTNR1AMTNR1BTSHRHPGD
SCHEMBL8711714 0.81 MPO (0.51) MPOMTNR1AMTNR1BHPGDMEN1
SCHEMBL8712366 0.78 MPO (0.46) MPOMTNR1AMTNR1BTSHRHPGD
SCHEMBL8712074 0.78 MPO (0.47) MPOMTNR1AMTNR1BHPGDMEN1
SCHEMBL8716716 0.76 KDM4E (0.48) MPOMTNR1AMTNR1BHPGDMEN1
SCHEMBL8717763 0.74 KDM4E (0.46) MPOHPGDMEN1KMT2AKDM4E
SCHEMBL8717169 0.72 MTNR1A (0.65) MPOMTNR1AMTNR1BHPGDMEN1
SCHEMBL8715083 0.72 KDM4E (0.53) MPOMTNR1AMTNR1BHPGDMEN1
SCHEMBL10905707 0.71 MTNR1A (0.65) MPOMTNR1AMTNR1BHPGDMEN1
SCHEMBL7055230 0.70 MTNR1A (0.44) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2

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