Sugi Predict

Sugi Predict / Compounds / SCHEMBL30873752

SCHEMBL30873752

SCHEMBL30873752

Cc1ccccc1C1CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 11/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ NR1H2 P55055 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ HTR2B P41595 3/20 0.40

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
SCHEMBL5333905 0.90 HTR2C (0.47) PARP1NR1H2MAPK1TAAR1HTR2A
SCHEMBL30502301 0.89 HTR2C (0.44) TACR1PARP1NR1H2MAPK1TAAR1
SCHEMBL31556646 0.88 NR1H2 (0.53) PARP1NR1H2MAPK1TAAR1HTR2A
SCHEMBL873237 0.87 RAD52 (0.41) PARP1NR1H2MAPK1TAAR1HTR2A
SCHEMBL13647340 0.86 TACR1 (0.59) TACR1PARP1HTR2AHTR2CHTR2B
SCHEMBL27887751 0.85 NR1H2 (0.38) TACR1PARP1NR1H2MAPK1TAAR1
SCHEMBL27904545 0.85 NR1H2 (0.38) TACR1PARP1NR1H2MAPK1TAAR1
SCHEMBL27747418 0.85 NR1H2 (0.38) TACR1PARP1NR1H2MAPK1TAAR1
SCHEMBL4325057 0.85 NR1H2 (0.49) PARP1NR1H2MAPK1
SCHEMBL22285173 0.85 NR1H2 (0.49) PARP1NR1H2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551057-A Benzo ring derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-02-13 — — CN disclosed