SCHEMBL9033829

SCHEMBL9033829

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.39
AGTR1 P30556 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TSHR P16473 1/20 0.32
PTGS2 P35354 3/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
P2RX7 Q99572 1/20 0.31
RAB9A P51151 1/20 0.31
PDK2 Q15119 1/20 0.30
GSK3A P49840 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
SCHEMBL9033821 1.00 KCNN4 (0.39) KCNN4AGTR1MEN1KMT2AALDH1A1
SCHEMBL9033772 0.82 AGTR1 (0.41) KCNN4AGTR1MEN1KMT2AALDH1A1
SCHEMBL30743612 0.76 ABCG2 (0.55) AGTR1ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL9429714 0.75 ABCG2 (0.36) KCNN4AGTR1POLBSMN1; SMN2ABCG2
SCHEMBL16370823 0.75 AGTR1 (0.43) KCNN4AGTR1ALDH1A1HPGDPOLB
SCHEMBL29954781 0.74 SMN1; SMN2 (0.37) AGTR1ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL8402419 0.74 POLB (0.40) AGTR1ALDH1A1HPGDPOLBSMN1; SMN2
Water SCHEMBL27471533 0.73 ABCG2 (0.36) AGTR1POLBSMN1; SMN2ABCG2RAB9A
SCHEMBL4638378 0.72 SMN1; SMN2 (0.51) ALDH1A1HPGDPOLBSMN1; SMN2TSHR
SCHEMBL4638349 0.71 AGTR1 (0.47) AGTR1MEN1KMT2AALDH1A1HPGD

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-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
US-5284841-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1994-02-08 US disclosed