SCHEMBL8717757

SCHEMBL8717757

CCC(=O)NCCc1cn(C(C)C)c2c(F)c(Cl)c(OC(C)C)cc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.45
MTNR1B P49286 8/20 0.45
S1PR1 P21453 1/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL8715081 0.73 MTNR1A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL8717348 0.72 MPO (0.38) MTNR1AMTNR1BS1PR1
SCHEMBL8712076 0.70 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL8717505 0.67 MTNR1A (0.41) MTNR1AMTNR1BNQO2
SCHEMBL8711852 0.66 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL7053413 0.65 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL8717027 0.65 KDM4E (0.36) MTNR1AMTNR1BS1PR1
SCHEMBL7053336 0.64 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL8711715 0.61 MTNR1A (0.53) MTNR1AMTNR1BNQO2
SCHEMBL8715089 0.61 MTNR1A (0.48) MTNR1AMTNR1B

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