SCHEMBL5144161

SCHEMBL5144161

COc1ccc2c(c1)CC(N(Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.45
DRD3 P35462 5/20 0.45
DRD4 P21917 4/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
CACNA1G O43497 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5143959 0.95 ALDH1A1 (0.48) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5143652 0.91 ALDH1A1 (0.48) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5142021 0.87 MAPT (0.45) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5143739 0.86 PRMT5 (0.46) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5143628 0.86 PRMT5 (0.45) MEN1KMT2AALDH1A1TSHRPRMT5
SCHEMBL5144084 0.86 PRMT5 (0.46) ALDH1A1TSHRPRMT5WDR77CYP2D6
SCHEMBL5143855 0.85 PRMT5 (0.47) DRD2MEN1KMT2AALDH1A1TSHR
SCHEMBL5145473 0.84 PRMT5 (0.45) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5144057 0.84 DRD2 (0.48) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL5146452 0.83 PRMT5 (0.48) DRD2DRD4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed