SCHEMBL7456872

SCHEMBL7456872

Cc1ccc([C@]23CCC[C@H](CC2)N3Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
OPRK1 P41145 1/20 0.40
KCNA5 P22460 1/20 0.40
ACHE P22303 3/20 0.39
BACE1 P56817 3/20 0.39
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
ALPL P05186 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11098245 0.78 OPRM1 (0.48) OPRK1
SCHEMBL7458612 0.75 OPRM1 (0.34)
SCHEMBL11207221 0.74 LMNA (0.39) LMNAPOLBOPRK1ACHEBACE1
SCHEMBL10913138 0.74 LMNA (0.41) LMNAPOLBOPRK1ACHEBACE1
SCHEMBL3247032 0.71 OPRK1 (0.51) POLBOPRK1ALDH1A1SIGMAR1
SCHEMBL168288 0.71 SIGMAR1 (0.38) OPRK1ACHEALDH1A1SIGMAR1
SCHEMBL3250253 0.71 OPRK1 (0.51) POLBOPRK1ALDH1A1SIGMAR1
SCHEMBL7808275 0.70 SIGMAR1 (0.40) OPRK1ACHEALDH1A1SIGMAR1
SCHEMBL3252835 0.70 OPRK1 (0.54) POLBOPRK1ALDH1A1SIGMAR1
SCHEMBL3252831 0.70 OPRK1 (0.54) POLBOPRK1ALDH1A1SIGMAR1

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
EP-0944626-A4 TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS UNIV GEORGETOWN (US) 2002-09-04 EP disclosed
EP-0944626-A1 TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS GEORGETOWN UNIVERSITY (US) 1999-09-29 EP disclosed
WO-1998024788-A1 TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS GEORGETOWN UNIVERSITY (US) 1998-06-11 WO disclosed