SCHEMBL9870334

SCHEMBL9870334

O=C(c1ccc(F)cc1)C1CCN(N2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.65
POLB P06746 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR7 P34969 1/20 0.57
HTR6 P50406 1/20 0.57
MGLL Q99685 1/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL8105684 0.84 MGLL (0.57) HSD11B1ALDH1A1MGLL
SCHEMBL6468965 0.83 SRD5A2 (0.62) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL6344408 0.83 HSD11B1 (0.72) HSD11B1POLBALDH1A1MGLLKDM4E
SCHEMBL8149182 0.82 MGLL (0.67) HSD11B1ALDH1A1MGLL
SCHEMBL662218 0.81 HSD11B1 (0.64) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL31164032 0.80 HSD11B1 (0.68) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL662115 0.80 HSD11B1 (0.68) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL14016112 0.80 HSD11B1 (0.69) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL3391936 0.80 HSD11B1 (0.69) HSD11B1POLBHTR2AHTR2CHTR7
SCHEMBL3044364 0.79 HSD11B1 (0.77) HSD11B1POLBALDH1A1MGLLKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US disclosed