SCHEMBL9302670

SCHEMBL9302670

O=C(c1ccccc1F)N1CCC(CNCC2COc3ccccc3O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 11/20 0.60
ADRA1A P35348 11/20 0.60
ADRA1B P35368 11/20 0.60
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK14 Q16539 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
MTNR1A P48039 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
SCHEMBL9301407 0.85 ADRA1D (0.68) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL9301300 0.81 ADRA1D (0.60) ADRA1DADRA1AADRA1BL3MBTL1HPGD
SCHEMBL9302313 0.79 ADRA1D (0.57) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL9302003 0.79 ADRA1D (0.60) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL9301815 0.79 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL9302324 0.79 ADRA1D (0.62) ADRA1DADRA1AADRA1BHPGDTSHR
SCHEMBL9301625 0.79 ADRA1D (0.54) ADRA1DADRA1AADRA1BHPGD
SCHEMBL7471573 0.75 ADRA1D (1.00) ADRA1DADRA1AADRA1BHPGDALDH1A1
Hydrochloric Acid SCHEMBL8124825 0.74 ADRA1D (0.98) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL6970869 0.74 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1A

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
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed