SCHEMBL7268941

SCHEMBL7268941

COc1ccc(N2CCN(CCc3sc(N)nc3-c3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
CACNA1G O43497 1/20 0.51
HTR1A P08908 3/20 0.49
SOAT1 P35610 1/20 0.49
DRD2 P14416 3/20 0.48
PTGS2 P35354 1/20 0.48
HTR2A P28223 2/20 0.47
TRPV4 Q9HBA0 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46
DRD3 P35462 1/20 0.46
ADRB1 P08588 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
Cadaverine Tartrate SCHEMBL9871114 0.92 HTR1A (0.49) CACNA1GHTR1ADRD2PTGS2HTR2A
SCHEMBL7275861 0.88 MAPT (0.55) HTR1ADRD2HTR2AALDH1A1MAPT
SCHEMBL7277915 0.86 CACNA1G (0.48) CACNA1GHTR1ADRD2HTR2AALDH1A1
SCHEMBL7275953 0.85 KCNH2 (0.57) HTR1ADRD2HTR2ATRPV4USP2
Hydrochloric Acid SCHEMBL9870939 0.82 HTR2A (0.53) HTR1ADRD2HTR2AALDH1A1MAPT
SCHEMBL7277460 0.81 CACNA1G (0.50) CACNA1GHTR1ADRD2HTR2AALDH1A1
SCHEMBL9872440 0.81 PARP1 (0.52) HTR1ADRD2TRPV4ALDH1A1MAPT
Cadaverine Tartrate SCHEMBL9872353 0.81 MAPT (0.47) HTR1ADRD2ALDH1A1MAPTDRD3
SCHEMBL7268869 0.79 SIGMAR1 (0.58) CACNA1GHTR1AALDH1A1MAPTDRD3
Cadaverine Tartrate SCHEMBL9870596 0.79 HTR1A (0.45) CACNA1GHTR1ADRD2HTR2AUSP2

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
EP-0409048-A2 Aminoalkyl substituted 2-aminothiazoles and medicines containing them BASF Aktiengesellschaft (DE) 1991-01-23 EP disclosed