SCHEMBL9302003

SCHEMBL9302003

O=C(c1cccc(Cl)c1)N1CCC(CNCC2COc3ccccc3O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 11/20 0.60
ADRA1A P35348 11/20 0.60
ADRA1B P35368 11/20 0.60
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
HTR2C P28335 1/20 0.53
DRD3 P35462 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MGLL Q99685 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 0.89 ADRA1D (0.68) ADRA1DADRA1AADRA1BNPC1RAB9A
SCHEMBL9302313 0.88 ADRA1D (0.57) ADRA1DADRA1AADRA1BNPC1RAB9A
SCHEMBL9301815 0.88 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL9301625 0.86 ADRA1D (0.54) ADRA1DADRA1AADRA1BHPGDMGLL
SCHEMBL9302190 0.85 MGLL (0.45) ADRA1DADRA1AADRA1BMGLL
SCHEMBL9301300 0.83 ADRA1D (0.60) ADRA1DADRA1AADRA1BRAB9AHPGD
SCHEMBL9302823 0.80 ADRA1D (0.62) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9302670 0.79 ADRA1D (0.60) ADRA1DADRA1AADRA1BHTR1ATSHR
SCHEMBL6977646 0.79 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7473727 0.76 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2

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