SCHEMBL9451990

SCHEMBL9451990

Nc1nc(C2=CCCN(CCc3ccccc3)C2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL9451955 0.81 CHRM2 (0.46) ALDH1A1MAPTKMT2A
SCHEMBL10697680 0.81 DRD2 (0.48) ALDH1A1MAPTALOX15KMT2ATAAR1
SCHEMBL9451944 0.79
SCHEMBL9729439 0.78 MAOA (0.39) ALDH1A1MAPTKMT2ATAAR1
SCHEMBL9451907 0.78 RECQL (0.40)
SCHEMBL9835542 0.78 MEN1 (0.45) ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL10699712 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9833493 0.77
SCHEMBL9833573 0.76 CHRM1 (0.39)
SCHEMBL9728783 0.75 KDM4E (0.46) ALDH1A1MAPTKMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234011-B1 4-(1,2,5,6-TETRAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES AND 4-(HEXAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES WARNER-LAMBERT COMPANY (US) 1991-09-18 EP claimed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP claimed
US-RE34242-E Amino-oxazole compounds having dopaminergic activity AKZO N.V. (NL) 1993-05-04 US disclosed
EP-0234011-B1 4-(1,2,5,6-TETRAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES AND 4-(HEXAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES WARNER-LAMBERT COMPANY (US) 1991-09-18 EP disclosed
US-4904676-A DOPAMINE AGONIST; NERVOUS SYSTEM AND CARDIOVASCULAR DISORDERS AKZO N.V. (NL) 1990-02-27 US disclosed
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US disclosed
EP-0244018-A1 Amino-thiazole and oxazole derivatives AKZO N.V. (NL) 1987-11-04 EP disclosed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP disclosed
US-4650805-A 4-(1,2,5,6-Tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines having anti-psychotic activity WARNER-LAMBERT COMPANY (US) 1987-03-17 US disclosed