SCHEMBL9380962

SCHEMBL9380962

Cc1cccc(Oc2cccc(C3CC3CN(O)C(N)=O)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 10/20 0.81
▸ HTR2A P28223 3/20 0.46
▸ HTR2C P28335 3/20 0.46
▸ HTR2B P41595 3/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ LTA4H P09960 1/20 0.40
▸ SLC9A1 P19634 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38

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
SCHEMBL9380960 1.00 ALOX5 (0.81) ALOX5HTR2AHTR2CHTR2BSLC6A4
SCHEMBL9385549 0.92 ALOX5 (0.83) ALOX5HTR2AHTR2CHTR2BSLC6A4
SCHEMBL9385544 0.92 ALOX5 (0.83) ALOX5HTR2AHTR2CHTR2BSLC6A4
SCHEMBL9195122 0.90 ALOX5 (1.00) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9195116 0.90 ALOX5 (1.00) ALOX5HTR2AHTR2CHTR2B
SCHEMBL7970862 0.89 ALOX5 (0.66) ALOX5HTR2AHTR2CHTR2BSLC6A4
SCHEMBL7970860 0.89 ALOX5 (0.66) ALOX5HTR2AHTR2CHTR2BSLC6A4
SCHEMBL9382597 0.88 ALOX5 (0.98) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9387034 0.88 ALOX5 (0.98) ALOX5HTR2AHTR2CHTR2B
SCHEMBL9382596 0.88 ALOX5 (0.98) ALOX5HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 — — EP claimed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 — — EP claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 — — EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 — — US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 — — EP disclosed
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