SCHEMBL29597660

SCHEMBL29597660

O=C(c1cncc(-c2ccc(CO)cc2)c1)N1CCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ AVPR2 P30518 5/20 0.61
▸ OXTR P30559 5/20 0.61
▸ AVPR1A P37288 5/20 0.61
▸ ALDH1A1 P00352 1/20 0.56
▸ CHRNB4 P30926 1/20 0.55
▸ CHRNA3 P32297 1/20 0.55
▸ STAT3 P40763 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CRBN Q96SW2 1/20 0.50
▸ TSHR P16473 1/20 0.49

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
SCHEMBL24499929 1.00 POLB (0.61) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL27197579 0.89 POLB (0.70) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL29598193 0.89 POLB (0.70) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL29597109 0.88 POLB (0.57) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL29598005 0.87 POLB (0.64) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL27197599 0.87 POLB (0.64) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL27197571 0.87 POLB (0.70) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL29598108 0.87 POLB (0.70) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL24500003 0.84 ALDH1A1 (0.70) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL29597115 0.84 ALDH1A1 (0.70) POLBHSD17B10AVPR2OXTRAVPR1A

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-4255902-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER Orion Corporation (FI) 2023-10-11 — — EP claimed
WO-2022117920-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER ORION CORPORATION (FI) 2022-06-09 — — WO claimed
EP-4255902-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER Orion Corporation (FI) 2023-10-11 — — EP disclosed
WO-2022117920-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER ORION CORPORATION (FI) 2022-06-09 — — WO disclosed
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