SCHEMBL11198053

SCHEMBL11198053

c1ccc2c(c1)C(N1CCCCC1)CC2N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CHRNA7 P36544 1/20 0.48
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11194889 1.00 TSHR (0.51) TSHRCHRNA7ALDH1A1TDP1
SCHEMBL11193476 1.00 TSHR (0.51) TSHRCHRNA7ALDH1A1TDP1
Fumaric Acid SCHEMBL11323031 0.84 ALDH1A1 (0.41) TSHRALDH1A1TDP1
SCHEMBL20238222 0.79 CHRNA7 (0.43) TSHRCHRNA7
SCHEMBL29668812 0.79 CHRNA7 (0.43) TSHRCHRNA7
SCHEMBL29668904 0.79 CHRNA7 (0.43) TSHRCHRNA7
SCHEMBL20238323 0.79 CHRNA7 (0.43) TSHRCHRNA7
SCHEMBL10607769 0.75 CHRNA7 (0.37) TSHRCHRNA7ALDH1A1TDP1
SCHEMBL21142551 0.74 CHRNA7 (0.74) TSHRCHRNA7
SCHEMBL3402404 0.74 CHRNA7 (0.74) TSHRCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4414220-A HUPOGLYCEMIC, ANTIDIABETIC PFIZER INC. (US) 1983-11-08 US disclosed
US-4333932-A DIHYDROISOINDOLES, HYPOGLYCEMIC, ANTIDIABETIC PFIZER INC. (US) 1982-06-08 US disclosed
EP-0010896-B1 ORGANIC DIAMINE COMPOUNDS FOR USE AS ORAL HYPOGLYCEMIC AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1981-12-30 EP disclosed
US-4220650-A HYPOGLYCEMIC PFIZER INC. (US) 1980-09-02 US disclosed
EP-0010896-A1 Organic diamine compounds for use as oral hypoglycemic agents and pharmaceutical compositions thereof PFIZER INC. (US) 1980-05-14 EP disclosed