SCHEMBL29891998

SCHEMBL29891998

CC(C)Oc1ccc([C@@H]2CCCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
POLB P06746 1/20 0.43
HTR2C P28335 4/20 0.42
HTR3A P46098 1/20 0.40
QDPR P09417 1/20 0.39

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
SCHEMBL23411513 1.00 TSHR (0.49) TSHRSLC18A3SIGMAR1POLBHTR2C
SCHEMBL14999422 0.94 TSHR (0.54) TSHRSLC18A3SIGMAR1POLBHTR2C
Hydrochloric Acid SCHEMBL4891825 0.92 TSHR (0.53) TSHRSLC18A3SIGMAR1POLBHTR2C
SCHEMBL14446350 0.85 TSHR (0.54) TSHRPOLB
SCHEMBL29891550 0.82 HTR2C (0.57) SLC18A3SIGMAR1HTR2CHTR3A
SCHEMBL16874642 0.82 HTR2C (0.57) SLC18A3SIGMAR1HTR2CHTR3A
SCHEMBL29892026 0.79 SLC18A3 (0.48) SLC18A3SIGMAR1HTR2CHTR3AQDPR
SCHEMBL23411134 0.79 SLC18A3 (0.48) SLC18A3SIGMAR1HTR2CHTR3AQDPR
SCHEMBL22117611 0.78 SLC18A3 (0.44) TSHRSLC18A3SIGMAR1POLBHTR2C
SCHEMBL17850376 0.76 SLC18A3 (0.53) SLC18A3SIGMAR1HTR2CHTR3AQDPR

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
CN-119564686-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-03-07 CN disclosed
CN-119523983-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-02-28 CN disclosed
CN-119424429-A DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2025-02-14 CN disclosed
CN-115003665-B DGK alpha inhibitors as immune activation substituted aminoquinolones of (2) 拜耳公司 2024-11-08 CN disclosed
EP-4065574-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2022-10-05 EP disclosed
CN-115003665-A Substituted aminoquinolones as immunoactive DGK alpha inhibitors 拜耳公司 2022-09-02 CN disclosed