SCHEMBL7599561

SCHEMBL7599561

Cc1cccc(C)c1N1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.54
DRD2 P14416 5/20 0.53
DRD4 P21917 4/20 0.53
SLC6A4 P31645 4/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
DRD3 P35462 2/20 0.48
OPRM1 P35372 1/20 0.48
FAAH O00519 1/20 0.48
CNR1 P21554 1/20 0.48
SLC6A2 P23975 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7602613 0.90 ADRA1A (0.61) ADRA1DADRA1AADRA1BLMNAGFER
SCHEMBL7599573 0.89 HTR2A (0.63) ADRA1ADRD2SLC6A4HTR2AHTR2C
SCHEMBL7601949 0.84 ADRA1D (0.62) ADRA1DADRA1AADRA1BLMNAGFER
SCHEMBL7601660 0.84 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7601947 0.84 KCNH2 (0.59) ADRA1DADRA1AADRA1BLMNAGFER
SCHEMBL7601974 0.84 DRD2 (0.61) ADRA1DADRA1AADRA1BLMNADRD2
SCHEMBL7601484 0.82 DRD2 (0.70) ADRA1ADRD2DRD4SLC6A4HTR2A
SCHEMBL7600435 0.81 DRD2 (0.74) DRD2DRD4SLC6A4DRD3FAAH
SCHEMBL7599519 0.80 DRD2 (0.53) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7596111 0.79 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD2DRD4

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 4 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
EP-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP disclosed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 WO disclosed