SCHEMBL31662985

SCHEMBL31662985

O=Cc1cccc(-c2ccn[nH]2)c1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
DRD1 P21728 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SCN4A P35499 2/20 0.33
NOTUM Q6P988 4/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CD74 P04233 1/20 0.31
MIF P14174 1/20 0.31
ATR Q13535 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
PIM1 P11309 1/20 0.31
NPC1 O15118 1/20 0.31
LTA4H P09960 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL31662926 0.76 IDO1 (0.56) IDO1ALDH1A1SCN4AADRA1AADRA1B
SCHEMBL31663053 0.76 ROCK2 (0.39) DRD1
SCHEMBL5083611 0.71 DRD1 (0.47) DRD1ALDH1A1CA1CA2
SCHEMBL16793384 0.70 ERN1 (0.48) DRD1ALDH1A1CA1CA2
SCHEMBL18124516 0.68 TSHR (0.48) DRD1ALDH1A1SCN4ACA1CA2
SCHEMBL3927888 0.68 CA1 (0.61) DRD1ALDH1A1CA1CA2
SCHEMBL4132573 0.67 SRC (0.58) DRD1ALDH1A1CA1CA2NPC1
SCHEMBL13388290 0.64 TRIM24 (0.46) IDO1SCN4AATRHCRTR1HCRTR2
SCHEMBL18124583 0.64 ALDH1A1 (0.43) DRD1ALDH1A1CA1CA2ADRA1A
SCHEMBL24026439 0.63 IDO1 (0.47) IDO1ALDH1A1SCN4ANOTUMADRA1A

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
WO-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed