SCHEMBL11534247

SCHEMBL11534247

NCCOC1CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.50
▸ WDR77 Q9BQA1 1/20 0.50
▸ MCHR1 Q99705 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ BCHE P06276 4/20 0.48
▸ ACHE P22303 3/20 0.48
▸ BACE1 P56817 2/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CCR3 P51677 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL24652674 0.83 NPC1 (0.58) PRMT5WDR77KDM4ENPC1L3MBTL1
SCHEMBL5390651 0.82 ACHE (0.51) PRMT5WDR77BCHEACHEBACE1
SCHEMBL2614397 0.82 ACHE (0.54) PRMT5WDR77MCHR1KDM4ENPC1
SCHEMBL7276334 0.82 ACHE (0.54) PRMT5WDR77MCHR1KDM4ENPC1
SCHEMBL11533203 0.82 HRH3 (0.51) PRMT5WDR77KDM4ENPC1L3MBTL1
SCHEMBL11531230 0.82 BCHE (0.52) PRMT5WDR77MCHR1KDM4ENPC1
SCHEMBL11531479 0.80 LTA4H (0.49) PRMT5WDR77KDM4ENPC1L3MBTL1
Bromomethane SCHEMBL11533624 0.80 BCHE (0.50) PRMT5WDR77MCHR1KDM4ENPC1
SCHEMBL4512639 0.78 LTA4H (0.60) MCHR1BCHEACHEBACE1CYP1A2
SCHEMBL3271398 0.78 LTA4H (0.60) MCHR1BCHEACHEBACE1CYP1A2

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-4139620-A HYPOTENSIVE AGENTS A. H. ROBINS COMPANY, INC. (US) 1979-02-13 — — US disclosed
US-4096331-A HYPOTENSIVE A. H. ROBINS COMPANY, INCORPORATED (US) 1978-06-20 — — US disclosed
Send feedback