SCHEMBL8695216

SCHEMBL8695216

CC(=O)NC1CC(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
HSD11B1 P28845 1/20 0.41
AKR1C3 P42330 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
PARP1 P09874 1/20 0.40
KMT2A Q03164 1/20 0.39
GLS O94925 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL20252628 1.00 P2RX7 (0.51) P2RX7LMNAGAASMN1; SMN2NPSR1
SCHEMBL11604784 0.84 LMNA (0.49) LMNASMN1; SMN2NPSR1POLBMAPT
SCHEMBL11266969 0.84 LMNA (0.49) LMNASMN1; SMN2NPSR1POLBMAPT
SCHEMBL14856285 0.84 LMNA (0.49) LMNASMN1; SMN2NPSR1POLBMAPT
SCHEMBL28288063 0.82 MTNR1A (0.46) POLBMAPTPTGDR2MTNR1AMTNR1B
SCHEMBL28288059 0.82 MTNR1A (0.46) POLBMAPTPTGDR2MTNR1AMTNR1B
SCHEMBL11756662 0.81 MTNR1A (0.48) LMNASMN1; SMN2POLBMAPTKDM4E
SCHEMBL1990464 0.80 LMNA (0.62) P2RX7LMNAGAAKDM4EADORA3
SCHEMBL1273705 0.80 LMNA (0.62) P2RX7LMNAGAAKDM4EADORA3
SCHEMBL29668743 0.80 LMNA (0.62) P2RX7LMNAGAAKDM4EADORA3

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
WO-1998055447-A1 3-AMINOINDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VENANTIUS LIMITED (IE) 1998-12-10 WO claimed
WO-1998055447-A1 3-AMINOINDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VENANTIUS LIMITED (IE) 1998-12-10 WO disclosed