SCHEMBL9865790

SCHEMBL9865790

CC(Cl)CCNCCC#N

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.31

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
SCHEMBL438136 0.76
SCHEMBL151133 0.75
SCHEMBL11406123 0.75 CHRNB2 (0.40) TSHR
SCHEMBL19999959 0.74 TSHR (0.38) TSHRTHRB
SCHEMBL11036343 0.73 LOX (0.32) TSHR
SCHEMBL11144102 0.72 ALDH1A1 (0.47) TSHRTHRB
SCHEMBL1188228 0.72 ALDH1A1 (0.47) TSHRTHRB
SCHEMBL28584833 0.72 ALDH1A1 (0.47) TSHRTHRB
SCHEMBL11370525 0.71 TSHR (0.34) TSHR
SCHEMBL6161515 0.70

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed