SCHEMBL10574172

SCHEMBL10574172

c1cc(OCC2CCCCC2)ccc1Cc1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.48
▸ PARP15 Q460N3 6/20 0.44
▸ PARP10 Q53GL7 6/20 0.44
▸ GRM2 Q14416 3/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ LTA4H P09960 4/20 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
SCHEMBL5727055 0.76 MAPT (0.40) HPGDLTA4H
SCHEMBL9570634 0.76 PLA2G2A (0.46) HPGDLTA4H
SCHEMBL10574136 0.75 HPGD (0.37) HPGDLTA4H
SCHEMBL11534430 0.74 DAO (0.33) —
SCHEMBL24169276 0.73 MAPT (0.57) HPGDLTA4H
SCHEMBL6150323 0.72 LTA4H (0.47) HPGDLTA4H
SCHEMBL5690326 0.72 HRH1 (0.59) —
SCHEMBL7315817 0.72 SIGMAR1 (0.56) HPGDPARP15PARP10GRM2PARP2
SCHEMBL10254446 0.71 PARP15 (0.42) PARP15PARP10PARP2
SCHEMBL14508997 0.70 PARP15 (0.55) HPGDPARP15PARP10GRM2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845231-A Tetrazoles and their use as hypoglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1989-07-04 — — US claimed
US-4845231-A Tetrazoles and their use as hypoglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1989-07-04 — — US disclosed
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