SCHEMBL7678643

SCHEMBL7678643

C=C[CH]N1CCN(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.50
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
CHRNA7 P36544 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
DRD2 P14416 3/20 0.46
DRD3 P35462 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL2750409 0.83 MAPT (0.50) DRD4MAPTLMNACHRNA7SIGMAR1
SCHEMBL164538 0.79 LMNA (0.67) DRD4MAPTLMNACHRNA7SIGMAR1
SCHEMBL16924853 0.79 LMNA (0.67) DRD4MAPTLMNACHRNA7SIGMAR1
SCHEMBL576814 0.79 LMNA (0.67) DRD4MAPTLMNACHRNA7SIGMAR1
SCHEMBL576454 0.79 LMNA (0.67) DRD4MAPTLMNACHRNA7SIGMAR1
SCHEMBL385012 0.79
SCHEMBL7258870 0.77 LMNA (0.64) DRD4MAPTLMNACHRNA7SIGMAR1
SCHEMBL2855093 0.75 MAPT (0.42) DRD4MAPTLMNACHRNA7SIGMAR1
SCHEMBL4052281 0.74 AKR1C3 (0.52) DRD4MAPTLMNACHRNA7SIGMAR1
SCHEMBL18479578 0.74 MAPT (0.50) DRD4MAPTLMNACHRNA7SIGMAR1

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
US-20140171436-A1 TREATMENT OF ANTIFOLATE NEUROTOXICITY SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-19 US disclosed
US-6436962-B1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS; RELIEF FROM BENIGN PROSTATIC HYPERPLASIA BY LESS HINDERED URINE FLOW BY RELAXING SMOOTH MUSCLE TISSUE; WITH A TESTOSTERONE 5-ALPHA REDUCTASE INHIBITOR, FINASTERIDE; ACUTE AND CHRONIC RELIEF MERCK & CO., INC. 2002-08-20 US disclosed
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed