SCHEMBL7749577

SCHEMBL7749577

CN1CCCC1c1cncc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.62
CHRNA3 P32297 5/20 0.62
CHRNA1 P02708 4/20 0.62
CHRNB2 P17787 4/20 0.62
CHRNA4 P43681 4/20 0.62
CHRNA2 Q15822 3/20 0.62
CHRNG P07510 2/20 0.62
CHRNB1 P11230 2/20 0.62
CHRND Q07001 2/20 0.62
ALDH1A1 P00352 2/20 0.56
CHRNA7 P36544 2/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR3E A5X5Y0 1/20 0.56
PSIP1 O75475 1/20 0.56
TRPA1 O75762 1/20 0.56
HTR3B O95264 1/20 0.56
MAPT P10636 1/20 0.56
CYP2A6 P11509 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL3452963 1.00 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL5412359 0.83 CHRNB4 (0.45) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL6972891 0.83 CHRNB4 (0.60) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL159159 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL31019621 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL159158 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL30866535 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL1538368 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL3059325 0.81 CHRNB2 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL1831992 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804195-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-11-05 EP claimed
WO-1996007410-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-03-14 WO claimed
CN-104797577-B Weeding and the formamide of 3 heteroaryl isoxazoline 5 and the thioamides of 3 heteroaryl isoxazoline 5 of Fungicidally active 拜尔农作物科学股份公司 2018-01-12 CN disclosed
EP-1074256-A2 Depolarizing skeletal muscle relaxants R.J. REYNOLDS TOBACCO COMPANY (US) 2001-02-07 EP disclosed
EP-0804195-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-11-05 EP disclosed
EP-0804195-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-11-05 EP disclosed
US-5559124-A QUINUCLIDINE DERIVATIVE TARGACEPT, INC., A CORPORATION OF DELAWARE 1996-09-24 US disclosed
WO-1996007410-A3 DEPOLARIZING SKELETAL MUSCLE RELAXANTS REYNOLDS TOBACCO CO R (US) 1996-05-30 WO disclosed
US-5510355-A ADMINISTERING 2-(3-PYRIDYL)-QUINUCLILIDINE DERIVATIVE TO THE PATIENT UNDERGOING SURGICAL PROCEDURE REQUIRING ANESTHESIA AS A MUSCLE RELEXANT TARGACEPT, INC., A CORPORATION OF DELAWARE 1996-04-23 US disclosed
US-5510355-A ADMINISTERING 2-(3-PYRIDYL)-QUINUCLILIDINE DERIVATIVE TO THE PATIENT UNDERGOING SURGICAL PROCEDURE REQUIRING ANESTHESIA AS A MUSCLE RELEXANT TARGACEPT, INC., A CORPORATION OF DELAWARE 1996-04-23 US disclosed
WO-1996007410-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-03-14 WO disclosed
WO-1996007410-A2 DEPOLARIZING SKELETAL MUSCLE RELAXANTS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-03-14 WO disclosed