SCHEMBL7305487

SCHEMBL7305487

COC(=O)CN1CCN(C2OC(=O)N(CCN3CCN(Cc4ccccc4)CC3)C2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 1/20 0.40
OPRL1 P41146 1/20 0.40
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL7314518 0.94 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7314534 0.94 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7307041 0.93 KMT2A (0.44) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL7314139 0.92 CACNA1G (0.42) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7303939 0.91 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7309154 0.90 ACHE (0.45) ACHE
SCHEMBL7317984 0.88 ACHE (0.43) ACHE
SCHEMBL7314334 0.88 CACNA1G (0.42) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7310167 0.88 CACNA1G (0.42) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7309596 0.88 ALDH1A1 (0.43) ALDH1A1TSHRKMT2AMEN1MAPT

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
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed