SCHEMBL8876489

SCHEMBL8876489

COc1cc(F)ccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.86
ADRA1D P25100 5/20 0.86
ADRA1A P35348 5/20 0.86
ADRA1B P35368 5/20 0.86
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
DRD3 P35462 5/20 0.53
SLC6A4 P31645 3/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
SLC6A2 P23975 1/20 0.51
DRD2 P14416 4/20 0.51
DRD4 P21917 2/20 0.51

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
SCHEMBL8875596 0.94 HTR1A (0.86) HTR1AADRA1DADRA1AADRA1BALDH1A1
Upidosin SCHEMBL29387625 0.93 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BALDH1A1
Upidosin SCHEMBL6638869 0.93 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL8876367 0.92 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL8876307 0.92 HTR1A (0.90) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL8875338 0.91 HTR1A (0.97) HTR1AADRA1DADRA1AADRA1BALDH1A1
Upidosin SCHEMBL8875369 0.91 HTR1A (0.97) HTR1AADRA1DADRA1AADRA1BALDH1A1
Upidosin SCHEMBL8875378 0.91 HTR1A (0.97) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7683339 0.91 ADRA1A (0.74) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL8875781 0.90 HTR1A (0.95) HTR1AADRA1DADRA1AADRA1BALDH1A1

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
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US claimed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed