SCHEMBL11250417

SCHEMBL11250417

CC(=Cc1ccccc1)CN1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 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
SCHEMBL9810870 0.85 MEN1 (0.52) PKMMAPK1SMN1; SMN2USP2ALOX15
SCHEMBL9810871 0.85 MEN1 (0.52) PKMMAPK1SMN1; SMN2USP2ALOX15
SCHEMBL11399593 0.83 SIGMAR1 (0.51) PKMMAPK1SMN1; SMN2USP2ALOX15
SCHEMBL11489613 0.83 SIGMAR1 (0.51) PKMMAPK1SMN1; SMN2USP2ALOX15
SCHEMBL11471354 0.80 ADORA3 (0.52) PKMMAPK1SMN1; SMN2USP2ALOX15
SCHEMBL13863944 0.80 ADORA3 (0.52) PKMMAPK1SMN1; SMN2USP2ALOX15
SCHEMBL13499548 0.77 ALDH1A1 (0.73) SMN1; SMN2USP2ALOX15TSHRKDM4E
SCHEMBL3574805 0.76 TSHR (0.71) SMN1; SMN2USP2ALOX15TSHRKDM4E
SCHEMBL3574801 0.76 TSHR (0.71) SMN1; SMN2USP2ALOX15TSHRKDM4E
SCHEMBL13539640 0.73 TSHR (0.72) SMN1; SMN2USP2ALOX15TSHRKDM4E

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-0017893-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC TERTIARY ARALKYL AMINES BASF Aktiengesellschaft (DE) 1982-03-24 EP disclosed
US-4283534-A Reductive alkylation of nitrogen heterocycles BASF AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed
EP-0017893-A1 Process for the preparation of heterocyclic tertiary aralkyl amines BASF Aktiengesellschaft (DE) 1980-10-29 EP disclosed