SCHEMBL11122483

SCHEMBL11122483

CC(C)NCC(COc1cccc2ccccc12)OCCO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 6/20 0.71
▸ CYP2D6 P10635 6/20 0.65
▸ ADRB2 P07550 4/20 0.65
▸ ADRB1 P08588 4/20 0.65
▸ SIGMAR1 Q99720 4/20 0.65
▸ CYP1A2 P05177 4/20 0.65
▸ HTR1B P28222 4/20 0.65
▸ SLC6A4 P31645 3/20 0.65
▸ HTR2B P41595 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ ADRB3 P13945 3/20 0.65
▸ HTR2A P28223 3/20 0.65
▸ HTR2C P28335 3/20 0.65
▸ HTR6 P50406 3/20 0.65
▸ SCN1A P35498 2/20 0.65
▸ SLC10A1 Q14973 2/20 0.65
▸ SCN2A Q99250 2/20 0.65
▸ SCN3A Q9NY46 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ HTR1A P08908 2/20 0.65

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
SCHEMBL14070176 0.86 NR2E1 (0.76) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL19031799 0.85 NR2E1 (0.74) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL19442044 0.85 NR2E1 (0.70) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL19440597 0.85 NR2E1 (0.70) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL19442156 0.85 NR2E1 (0.70) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL1298843 0.85 NR2E1 (0.78) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL19440598 0.83 NR2E1 (1.00) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL11226386 0.83 NR2E1 (0.71) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL10737803 0.82 NR2E1 (0.78) NR2E1CYP2D6ADRB2ADRB1SIGMAR1
SCHEMBL11742816 0.82 NR2E1 (0.78) NR2E1CYP2D6ADRB2ADRB1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045334-B1 PROPRANOLOL ANTIGEN CONJUGATES AND ANTIBODIES AND METHOD OF USING THEM SYVA COMPANY (US) 1984-03-14 — — EP disclosed
US-4329502-A USEFUL IN DETERMINING THE PRESSENCE OF ADRENERGIC BLOCKING AGENTS ALSO IN IMMUNOASSAY SYVA COMPANY (US) 1982-05-11 — — US disclosed
EP-0045334-A1 Propranolol antigen conjugates and antibodies and method of using them SYVA COMPANY (US) 1982-02-10 — — EP disclosed
US-4241177-A USED IN ENZYME IMMUNOASSAY FOR DETECTION OF ADRENERGIC BLOCKING AGENTS SYVA COMPANY (US) 1980-12-23 — — US disclosed
Send feedback