SCHEMBL9024768

SCHEMBL9024768

O=C1Nc2cc(I)ccc2CCC1I

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.38
CA9 Q16790 1/20 0.36
TGM2 P21980 1/20 0.34
CES1 P23141 1/20 0.34
ADRA2A P08913 1/20 0.34
PNMT P11086 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SRD5A1 P18405 1/20 0.34
PYGL P06737 2/20 0.32
PYGM P11217 2/20 0.32
SMYD3 Q9H7B4 1/20 0.31
TYMS P04818 2/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CMA1 P23946 2/20 0.30
AHR P35869 2/20 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
SCHEMBL9405612 0.83 CA9 (0.38) TDP2CA9TGM2CES1ADRA2A
SCHEMBL15964659 0.83 CMA1 (0.50) TDP2CA9TGM2CES1ADRA2A
SCHEMBL18743979 0.83 HTR5A (0.40) CA9SRD5A1DDB1CRBN
SCHEMBL9405728 0.83 TRPV1 (0.40) CA9SRD5A1DDB1CRBN
SCHEMBL9405624 0.83 AHR (0.50) SRD5A1PYGLPYGMDDB1CRBN
SCHEMBL9025361 0.79 SRC (0.45) DDB1CRBN
SCHEMBL15414847 0.79 TDP2 (0.42) TDP2CRBN
SCHEMBL7086240 0.78 NPC1 (0.52) PYGLPYGMCRBNAHR
SCHEMBL2060515 0.78 CRBN (0.43) TDP2ADRA2APNMTADRA2BADRA2C
SCHEMBL2616856 0.74 CA9 (0.62) TDP2CA9SMYD3CRBN

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