SCHEMBL8097585

SCHEMBL8097585

OC1(c2ccccc2)CCN(CCc2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.82
OPRL1 P41146 2/20 0.71
POLB P06746 1/20 0.69
CCR3 P51677 2/20 0.66
SLC6A3 Q01959 1/20 0.58
DRD2 P14416 1/20 0.57
KCNA3 P22001 1/20 0.55

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
Acetic Acid SCHEMBL614395 0.93 SIGMAR1 (0.72) SIGMAR1OPRL1POLBCCR3DRD2
SCHEMBL5175622 0.91 SIGMAR1 (0.69) SIGMAR1OPRL1POLBCCR3DRD2
SCHEMBL8096481 0.90 SIGMAR1 (1.00) SIGMAR1OPRL1POLBCCR3DRD2
SCHEMBL27582059 0.90 CCR3 (0.82) SIGMAR1OPRL1POLBCCR3DRD2
SCHEMBL27563251 0.90 SIGMAR1 (0.68) SIGMAR1OPRL1POLBCCR3SLC6A3
SCHEMBL8099056 0.89 SIGMAR1 (0.67) SIGMAR1OPRL1POLBCCR3SLC6A3
SCHEMBL8186456 0.85 HRH3 (0.65) SIGMAR1OPRL1POLBCCR3DRD2
SCHEMBL9374085 0.83 SIGMAR1 (0.74) SIGMAR1OPRL1CCR3
SCHEMBL11742308 0.83 SLC6A3 (0.61) SIGMAR1SLC6A3DRD2
SCHEMBL1411499 0.83 OPRL1 (1.00) SIGMAR1OPRL1POLBCCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122050-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US claimed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed
CN-113122050-B Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2022-11-04 CN disclosed
CN-113122050-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed