SCHEMBL7601949

SCHEMBL7601949

Cc1ccc(N2CCN(CCCNC(=O)C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.62
ADRA1A P35348 4/20 0.62
ADRA1B P35368 4/20 0.62
DRD4 P21917 8/20 0.61
DRD2 P14416 7/20 0.61
SLC6A4 P31645 2/20 0.59
SLC6A2 P23975 1/20 0.59
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.54
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
OPRM1 P35372 1/20 0.52

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
SCHEMBL7601947 0.88 KCNH2 (0.59) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL7601660 0.86 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL7601974 0.86 DRD2 (0.61) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL7602613 0.85 ADRA1A (0.61) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL7599561 0.84 ADRA1D (0.55) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL7599573 0.83 HTR2A (0.63) ADRA1ADRD2SLC6A4DRD3
SCHEMBL7601484 0.82 DRD2 (0.70) ADRA1ADRD4DRD2SLC6A4SLC6A2
SCHEMBL7600435 0.81 DRD2 (0.74) DRD4DRD2SLC6A4SLC6A2DRD3
SCHEMBL7599519 0.80 DRD2 (0.53) ADRA1DADRA1AADRA1BDRD4DRD2
SCHEMBL13946749 0.80 DRD2 (0.64) ADRA1DADRA1AADRA1BDRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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