SCHEMBL29544459

SCHEMBL29544459

CN1C(=O)C(Cc2ccc3ccccc3c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.54
LMNA P02545 2/20 0.54
PDE3A Q14432 1/20 0.54
PDE4D Q08499 2/20 0.47
HTR2B P41595 1/20 0.47
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ROCK2 O75116 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
CACNA1F O60840 1/20 0.41
ALB P02768 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL1687457 1.00 OPRK1 (0.54) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL29410184 1.00 OPRK1 (0.54) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL6125005 0.90 OPRK1 (0.51) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL11964613 0.89 OPRK1 (0.62) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL13421271 0.89 OPRK1 (0.48) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL2266031 0.89 OPRK1 (0.55) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL13421407 0.87 OPRK1 (0.59) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL605960 0.87 OPRK1 (0.51) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL8985784 0.87 OPRK1 (0.51) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL2264662 0.87 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452989-A1 MITOCHONDRIAL ATP INHIBITORS TARGETING THE GAMMA SUBUNIT PREVENT METASTASIS Lunella Biotech, Inc. (CA) 2024-10-30 EP disclosed
CN-118660899-A Mitochondrial ATP inhibitors targeting gamma subunits prevent metastasis 卢内拉生物技术有限公司 2024-09-17 CN disclosed
EP-4232432-A1 MITOCHONDRIAL ATP INHIBITORS TARGETING THE GAMMA SUBUNIT PREVENT METASTASIS Lunella Biotech, Inc. (CA) 2023-08-30 EP disclosed
CN-116437922-A Gamma subunit targeted mitochondrial ATP inhibitors for preventing metastasis 卢内拉生物技术有限公司 2023-07-14 CN disclosed
WO-2023119232-A1 MITOCHONDRIAL ATP INHIBITORS TARGETING THE GAMMA SUBUNIT PREVENT METASTASIS LUNELLA BIOTECH, INC. (CA) 2023-06-29 WO disclosed
WO-2022084947-A1 MITOCHONDRIAL ATP INHIBITORS TARGETING THE GAMMA SUBUNIT PREVENT METASTASIS LUNELLA BIOTECH, INC. (CA) 2022-04-28 WO disclosed