SCHEMBL11870415

SCHEMBL11870415

O=C(OCCN1CCCCC1)c1nn(-c2ccccc2)c2c1CCc1cc(Cl)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.49
▸ CNR1 P21554 3/20 0.49
▸ HPGD P15428 1/20 0.44
▸ RAD52 P43351 1/20 0.42
▸ SRC P12931 1/20 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
SCHEMBL11865791 0.99 CNR2 (0.47) CNR2CNR1HPGDRAD52
SCHEMBL11859783 0.93 RAD52 (0.44) CNR2CNR1HPGDRAD52
SCHEMBL11865693 0.91 PTGS2 (0.47) CNR2CNR1RAD52
SCHEMBL11858506 0.85 CNR2 (0.56) CNR2CNR1RAD52
SCHEMBL11870710 0.84 CNR2 (0.54) CNR2CNR1RAD52
SCHEMBL11861062 0.83 CNR2 (0.54) CNR2CNR1RAD52
SCHEMBL11859533 0.82 RAD52 (0.47) CNR2CNR1HPGDRAD52
SCHEMBL11864104 0.82 RAD52 (0.57) CNR2CNR1HPGDRAD52
Hydrochloric Acid SCHEMBL11861513 0.81 RAD52 (0.57) CNR2CNR1HPGDRAD52
SCHEMBL11863026 0.81 KMT2A (0.53) CNR2CNR1RAD52

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
US-3940418-A Esters and amides of 4,5-dihydrobenz[g]indazole-3-carboxylic acids and related compounds G. D. SEARLE & CO. (US) 1976-02-24 — — US disclosed
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