SCHEMBL7597607

SCHEMBL7597607

Cc1ccc(C)c(N2CCN(CCCN)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 2/20 0.61
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.56
HTR1A P08908 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
TP53 P04637 4/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 1/20 0.50
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2480770 0.85 ALDH1A1 (0.84) MEN1KMT2AALDH1A1DRD3HTR1A
SCHEMBL11392447 0.85 MEN1 (0.67) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL3187557 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL29342004 0.82 MEN1 (0.64) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL5186020 0.82 KCNH2 (0.51) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL13140375 0.82 MEN1 (0.64) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL8370595 0.81 MEN1 (0.62) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL8828565 0.81 CYP2D6 (0.61) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL2317791 0.81 ALDH1A1 (0.82) MEN1KMT2AALDH1A1HTR1AADRA1A
SCHEMBL8828454 0.80 DRD2 (0.56) MEN1KMT2ADRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
EP-0891344-B1 ALPHA-1 ADRENERGIC RECEPTOR ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2002-12-18 EP disclosed
US-6300499-B1 α1-adrenergic receptor antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-09 US disclosed