SCHEMBL9301407

SCHEMBL9301407

O=C(c1ccccc1)N1CCC(CNCC2COc3ccccc3O2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.68
ADRA1A P35348 10/20 0.68
ADRA1B P35368 10/20 0.68
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GLA P06280 1/20 0.52
ALOX12 P18054 1/20 0.52
MTNR1A P48039 1/20 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
SCHEMBL9301300 0.91 ADRA1D (0.60) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL9302003 0.89 ADRA1D (0.60) ADRA1DADRA1AADRA1BHPGDSMN1; SMN2
SCHEMBL9302313 0.89 ADRA1D (0.57) ADRA1DADRA1AADRA1BHPGDSMN1; SMN2
SCHEMBL9301815 0.87 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL9301625 0.86 ADRA1D (0.54) ADRA1DADRA1AADRA1BHPGD
SCHEMBL9302670 0.85 ADRA1D (0.60) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL9301424 0.81 ADRA1A (0.45) ADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL7471573 0.81 ADRA1D (1.00) ADRA1DADRA1AADRA1BHPGDALDH1A1
Hydrochloric Acid SCHEMBL8124825 0.80 ADRA1D (0.98) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL7473727 0.77 ADRA1D (1.00) ADRA1DADRA1AADRA1BHPGDALDH1A1

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