SCHEMBL8712366

SCHEMBL8712366

CCCCOc1cc2c(CCCC(=O)NCC)c[nH]c2c(Cl)c1Br

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
MTNR1A P48039 7/20 0.45
MTNR1B P49286 5/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CNR2 P34972 5/20 0.39
CNR1 P21554 3/20 0.39
TRPV1 Q8NER1 2/20 0.38
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 1/20 0.37

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 0.83 MPO (0.53) MPOMTNR1AMTNR1BHPGDTSHR
SCHEMBL8711714 0.81 MPO (0.51) MPOMTNR1AMTNR1BHPGDMEN1
SCHEMBL8712074 0.79 MPO (0.47) MPOMTNR1AMTNR1BHPGDTRPV1
SCHEMBL8717501 0.78 MPO (0.53) MPOMTNR1AMTNR1BHPGDTSHR
SCHEMBL7058314 0.76 MTNR1A (0.35) MTNR1AMTNR1BHPGDTSHRCNR2
SCHEMBL8711798 0.74 CCNE2 (0.32) HPGDTSHRCNR2
SCHEMBL8822773 0.72 MTNR1A (0.35) MTNR1AMTNR1BHPGDCNR2TRPV1
SCHEMBL7055069 0.72 MTNR1A (0.40) MTNR1AMTNR1BCNR2MEN1KMT2A
SCHEMBL8717169 0.71 MTNR1A (0.65) MPOMTNR1AMTNR1BHPGDTRPV1
SCHEMBL8714799 0.68 KDM4E (0.53) MTNR1AMTNR1BHPGDMEN1HCRTR1

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