Sugi Predict

Sugi Predict / Compounds / SCHEMBL21780869

SCHEMBL21780869

SCHEMBL21780869

FCC1CCN(CCOc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.63
▸ SIGMAR1 Q99720 2/20 0.63
▸ ESR1 P03372 2/20 0.56
▸ LTA4H P09960 7/20 0.55
▸ HTR1A P08908 2/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ KCNH2 Q12809 1/20 0.49
▸ KDM1A O60341 2/20 0.48

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
SCHEMBL17087008 0.88 KDM1A (0.56) TMEM97SIGMAR1ESR1LTA4HHTR1A
SCHEMBL17845086 0.86 ESR1 (0.49) TMEM97SIGMAR1ESR1LTA4H
SCHEMBL17845116 0.86 ESR1 (0.49) TMEM97SIGMAR1ESR1LTA4H
SCHEMBL21780941 0.86 HRH3 (0.56) TMEM97SIGMAR1ESR1LTA4HKDM1A
SCHEMBL17845197 0.86 ESR1 (0.59) ESR1LTA4H
SCHEMBL17845198 0.86 ESR1 (0.59) ESR1LTA4H
SCHEMBL17085450 0.83 LTA4H (0.62) TMEM97SIGMAR1LTA4HHTR1AHTR7
SCHEMBL23474881 0.82 KDM4E (0.60) ESR1LTA4H
SCHEMBL23474994 0.82 KDM4E (0.60) ESR1LTA4H
SCHEMBL23474962 0.82 KDM4E (0.60) ESR1LTA4H

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
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 — — EP disclosed