Sugi Predict

Sugi Predict / Compounds / SCHEMBL7322880

SCHEMBL7322880

SCHEMBL7322880

CC1(C)Oc2ccc(C(N)=O)cc2C(Oc2ccnc(O)c2)C1(C)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ TSHR P16473 1/20 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
SCHEMBL7330998 0.90 KDM4E (0.36) TSHR
SCHEMBL7333916 0.90 CYP1A2 (0.32) TSHR
SCHEMBL7330402 0.85 — —
SCHEMBL8088697 0.83 LMNA (0.31) —
SCHEMBL8085398 0.82 — —
SCHEMBL8085025 0.81 AKR1B1 (0.33) —
SCHEMBL8085194 0.81 ABCC9 (0.36) —
SCHEMBL8084247 0.81 HTR1A (0.32) HTR1AHTR1DHTR2CTSHR
SCHEMBL7325525 0.80 ABCB1 (0.39) —
SCHEMBL9443605 0.75 HTR1A (0.36) HTR1AHTR1DHTR2CTSHR

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 — — US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 — — US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 — — US disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 — — EP disclosed