SCHEMBL7436149

SCHEMBL7436149

CC1(C)[CH]C(C)(C)CN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.57
SIGMAR1 Q99720 4/20 0.54
MC4R P32245 1/20 0.50
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.47
ACHE P22303 1/20 0.47
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD4 P21917 1/20 0.44
ELANE P08246 1/20 0.44

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
SCHEMBL10990414 0.83 GAA (0.67) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL28349386 0.80 GAA (0.62) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL867675 0.80 GAA (0.62) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL15320452 0.80 GAA (0.62) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL28612690 0.80 GAA (0.62) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL26634530 0.80 GAA (0.62) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL27798357 0.79 SIGMAR1 (0.62) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL9524478 0.78 GAA (0.61) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL31230952 0.78 GAA (0.61) GAAMEN1KMT2ATSHRSIGMAR1
SCHEMBL11707747 0.78 GAA (0.61) GAAMEN1KMT2ATSHRSIGMAR1

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-5049548-A Hypotensives MERCK & CO., INC. (US) 1991-09-17 US disclosed
EP-0389127-A1 Renin-inhibitory di-, tri-, and tetrapeptides MERCK & CO. INC. (US) 1990-09-26 EP disclosed