SCHEMBL7389692

SCHEMBL7389692

Cc1ccc(SCCCCN2CC[CH]CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
HRH1 P35367 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL7383372 0.98 POLB (0.68) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL7382543 0.84 DRD2 (0.56) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL7387694 0.84 KDM4E (0.61) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL7427501 0.84 ALDH1A1 (0.61) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL7387101 0.83 KDM4E (0.60) POLBKDM4EALDH1A1DRD2DRD1
SCHEMBL7391693 0.83 DRD2 (0.54) POLBKDM4EDRD2DRD1DRD5
SCHEMBL7392098 0.83 KDM4E (0.59) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL7388724 0.83 KDM4E (0.59) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL7386166 0.79 DRD2 (0.60) KDM4EDRD2DRD1DRD5DRD3
SCHEMBL7390119 0.79 GRIN2B (0.60) POLBKDM4EALDH1A1DRD2DRD1

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