SCHEMBL7387064

SCHEMBL7387064

COc1ccc(COCCCCCN2CC[CH]CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ EBP Q15125 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ ABCB1 P08183 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL7390483 0.99 KDM4E (0.50) KDM4EEBPSIGMAR1TMEM97ABCB1
SCHEMBL7385165 0.81 ALDH1A1 (0.53) SIGMAR1ABCB1ALDH1A1TSHRDRD2
SCHEMBL7387889 0.81 DRD3 (0.53) ABCB1ALDH1A1TSHRLMNADRD2
SCHEMBL7389275 0.81 MAOB (0.45) SIGMAR1ABCB1ALDH1A1TSHR
SCHEMBL7391448 0.80 SIGMAR1 (0.53) SIGMAR1ABCB1ALDH1A1TSHRDRD2
SCHEMBL7383386 0.79 MAOB (0.43) SIGMAR1ABCB1ALDH1A1TSHR
SCHEMBL7390495 0.79 DRD3 (0.52) ABCB1ALDH1A1TSHRLMNADRD2
SCHEMBL7391532 0.79 GBA1 (0.54) SIGMAR1DRD2DRD3
SCHEMBL27337543 0.78 SIGMAR1 (0.64) EBPSIGMAR1TMEM97
SCHEMBL7389363 0.78 HRH3 (0.51) SIGMAR1TMEM97

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 — — EP disclosed
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