SCHEMBL8711798

SCHEMBL8711798

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CNR2 P34972 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL8712366 0.74 MPO (0.46) HPGDTSHRCNR2
SCHEMBL7058314 0.72 MTNR1A (0.35) HPGDTSHRCNR2ADRB3
SCHEMBL7055069 0.72 MTNR1A (0.40) CNR2
SCHEMBL8822773 0.69 MTNR1A (0.35) HPGDCNR2
SCHEMBL7056844 0.65 MTNR1A (0.44) HPGDTSHRADRB3
SCHEMBL8712370 0.59 MTNR1A (0.44)
SCHEMBL18525602 0.57 MAOA (0.41) HPGDTSHRCNR2
SCHEMBL7051614 0.56 MTNR1A (0.65) HPGD
SCHEMBL14818597 0.56 TP53 (0.38) TSHR
SCHEMBL2664618 0.56 ESR1 (0.46) TSHR

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