SCHEMBL9033772

SCHEMBL9033772

O=Cc1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.41
GRM5 P41594 2/20 0.38
XDH P47989 1/20 0.37
KCNN4 O15554 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCB1 P08183 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6155 0.86 POLB (0.39) AGTR1GRM5XDHKCNN4POLB
SCHEMBL6188044 0.82 GRM5 (0.39) GRM5XDHKCNN4POLBSMN1; SMN2
SCHEMBL9033821 0.82 KCNN4 (0.39) AGTR1KCNN4POLBSMN1; SMN2ABCG2
SCHEMBL9033829 0.82 KCNN4 (0.39) AGTR1KCNN4POLBSMN1; SMN2ABCG2
SCHEMBL4638150 0.81 AGTR1 (0.45) AGTR1XDHPOLBSMN1; SMN2ABCG2
SCHEMBL30743612 0.79 ABCG2 (0.55) AGTR1GRM5POLBSMN1; SMN2ABCG2
SCHEMBL16370823 0.78 AGTR1 (0.43) AGTR1KCNN4POLBSMN1; SMN2ABCG2
SCHEMBL9429714 0.78 ABCG2 (0.36) AGTR1KCNN4POLBSMN1; SMN2ABCG2
SCHEMBL8784604 0.78 ABCG2 (0.39) AGTR1GRM5XDHPOLBSMN1; SMN2
SCHEMBL8402419 0.77 POLB (0.40) AGTR1POLBSMN1; SMN2ABCG2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682654-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1996-01-17 EP disclosed
EP-0682654-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-11-22 EP disclosed
WO-1994018169-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-08-18 WO disclosed
US-5284841-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1994-02-08 US disclosed