SCHEMBL11370525

SCHEMBL11370525

CCC(N)CCNCCC#N

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL28111017 0.82 HRH3 (0.39) TSHRHRH3
SCHEMBL11036343 0.79 LOX (0.32) TSHR
SCHEMBL15232239 0.78
SCHEMBL26780715 0.78
SCHEMBL16496291 0.74 TSHR (0.33) TSHR
SCHEMBL10505137 0.74 TSHR (0.30) TSHR
SCHEMBL11345612 0.74 LMNA (0.34) TSHR
SCHEMBL31038608 0.74 OPRM1 (0.37) HRH3
SCHEMBL433529 0.74 CYP2C19 (0.36) TSHRHRH3
SCHEMBL8850832 0.74 TSHR (0.42) TSHRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260556-A Process for preparing nitrogen-containing compounds from 2-pentenenitrile MILLIKEN RESEARCH CORPORATION (US) 1981-04-07 US disclosed
US-4211725-A Nitrogen containing compositions MILLIKEN RESEARCH CORPORATION (US) 1980-07-08 US disclosed