SCHEMBL8207652

SCHEMBL8207652

CCOC(=O)N1CCC(=C2c3sccc3CCn3ncnc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.45
SLC6A15 Q9H2J7 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CACNA1F O60840 1/20 0.41
NR1I2 O75469 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CHRM2 P08172 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL7138894 0.83 HRH1 (0.48) HRH1SLC6A15SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8207791 0.83 DRD1 (0.39) HRH1CYP2C19MAPTKMT2AMEN1
SCHEMBL7136762 0.82 HRH1 (0.64) HRH1SLC6A15SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8200919 0.80 CYP1A2 (0.33) CYP2C9CYP2C19MAPTCYP3A4CYP2D6
SCHEMBL7142948 0.79 HRH1 (0.55) HRH1SLC6A15SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7141837 0.79 HRH1 (0.50) HRH1SLC6A15SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8208376 0.78 HRH1 (0.37) HRH1LMNANOS3NOS2
SCHEMBL9282274 0.76 HRH1 (0.49) HRH1SLC6A15SMN1; SMN2CYP2C9CYP2C19
Water SCHEMBL8200822 0.76 HRH1 (0.44) HRH1SLC6A15SMN1; SMN2CYP2C9CYP2C19
Oxalic Acid SCHEMBL9280234 0.75 SIGMAR1 (0.40) MAPTLMNAABCB1HTR2AOPRM1

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-0675889-B1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-07-05 EP disclosed
US-5595988-A Triazolo(pyrrolo, thieno or furano)azepine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-21 US disclosed
EP-0675889-A1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
WO-1994013681-A1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed