SCHEMBL9023764

SCHEMBL9023764

CSc1ccc2c(c1)CCC(I)C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CRBN Q96SW2 6/20 0.33
DDB1 Q16531 5/20 0.33
RIPK1 Q13546 1/20 0.32
TYMS P04818 1/20 0.32

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
SCHEMBL9025693 0.83 MAPT (0.35) MAPTUSP2ALDH1A1PTGS1PTGS2
SCHEMBL17321237 0.81 SRD5A1 (0.39) ALDH1A1CRBNDDB1RIPK1
SCHEMBL15964662 0.78 AHR (0.50) RIPK1
SCHEMBL2361761 0.78 HTR5A (0.40) MAPTCRBNDDB1
SCHEMBL15964664 0.78 BRD4 (0.45) MAPTCRBNDDB1RIPK1
SCHEMBL9025593 0.77 PDE3B (0.51) MAPTALDH1A1SMN1; SMN2CRBNDDB1
SCHEMBL9025886 0.74 KMT2A (0.49) CRBNDDB1
SCHEMBL7086240 0.73 NPC1 (0.52) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9025127 0.73 MAPT (0.53) MAPTUSP2ALDH1A1SMN1; SMN2
SCHEMBL18743979 0.72 HTR5A (0.40) ALDH1A1CRBNDDB1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed