SCHEMBL9102827

SCHEMBL9102827

COC(=O)N1CC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 2/20 0.46
RIPK1 Q13546 4/20 0.45
P2RX7 Q99572 2/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KIF11 P52732 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
POLB P06746 2/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL18828597 0.83 MAOA (0.50) MEN1KMT2ATSHRRIPK1
SCHEMBL3188035 0.81 NR1H2 (0.56) RIPK1ABCB1
SCHEMBL12668388 0.81 NR1H2 (0.56) RIPK1ABCB1
SCHEMBL3188043 0.81 NR1H2 (0.56) RIPK1ABCB1
SCHEMBL10002512 0.80 RIPK1 (0.64) MEN1KMT2ARIPK1
SCHEMBL18711396 0.79 POLB (0.61) MEN1KMT2ATSHRRIPK1KIF11
SCHEMBL12184218 0.79 RIPK1 (0.58) MEN1KMT2ARIPK1
SCHEMBL27672000 0.79 RIPK1 (0.58) MEN1KMT2ARIPK1
SCHEMBL4657693 0.79 RIPK1 (0.47) MEN1KMT2ARIPK1P2RX7POLB
SCHEMBL4657697 0.79 RIPK1 (0.47) MEN1KMT2ARIPK1P2RX7POLB

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-1995030672-A1 AZIRIDINE COMPOUNDS, METHODS OF PREPARATION AND REACTIONS THEREOF DREXEL UNIVERSITY (US) 1995-11-16 WO disclosed
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed