SCHEMBL11244735

SCHEMBL11244735

Cc1cccc(C)c1NCCCC(O)C(N)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A4 P31645 3/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
CSNK1E P49674 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
SLC6A2 P23975 3/20 0.32
CHRM1 P11229 2/20 0.32
ADRA2B P18089 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HRH1 P35367 2/20 0.32
OPRM1 P35372 2/20 0.32

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
Hydrochloric Acid SCHEMBL11237752 0.99 TSHR (0.36) TSHRHSD17B10SLC6A4MAPK1SMN1; SMN2
SCHEMBL11239338 0.84 DRD3 (0.33) SLC6A4MAPK1PPARGPPARADRD2
Hydrochloric Acid SCHEMBL11235609 0.83 DRD3 (0.33) SLC6A4MAPK1PPARGPPARADRD2
Hydrochloric Acid SCHEMBL11230532 0.81 MAPT (0.46) SLC6A4SMN1; SMN2PPARGPPARA
SCHEMBL11235563 0.80 HTT (0.48) SMN1; SMN2ALOX12GAALMNAKMT2A
SCHEMBL11242830 0.80 TRPV4 (0.35) SLC6A4PPARGPPARADRD2DRD4
SCHEMBL11243710 0.79 HPGD (0.53) TSHRSMN1; SMN2CHRM1KMT2A
SCHEMBL11229508 0.79 THRB (0.42) CYP1A2CYP3A4HTR2AALOX12LMNA
Hydrochloric Acid SCHEMBL11239641 0.79 HTT (0.47) SMN1; SMN2ALOX12GAALMNAKMT2A
Hydrochloric Acid SCHEMBL11238437 0.78 THRB (0.41) CYP1A2CYP3A4HTR2AALOX12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed