SCHEMBL24144136

SCHEMBL24144136

CCCn1cc(CC(C)C)c2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.44
▸ CNR2 P34972 4/20 0.43
▸ CNR1 P21554 3/20 0.43
▸ HTR6 P50406 1/20 0.42
▸ NR1D1 P20393 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ICMT O60725 3/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL24144137 0.85 NR1D1 (0.46) CNR2CNR1HTR6NR1D1TBXA2R
SCHEMBL24143488 0.82 NR1D1 (0.44) CNR2CNR1HTR6NR1D1TBXA2R
SCHEMBL24144934 0.80 NR1D1 (0.42) CNR2CNR1HTR6NR1D1TBXA2R
SCHEMBL24144535 0.78 NR1D1 (0.66) CNR2CNR1NR1D1ICMT
SCHEMBL13152564 0.76 DYRK1A (0.43) CYP19A1CNR2CNR1HTR6SMN1; SMN2
SCHEMBL22122330 0.75 LMNA (0.45) CYP19A1CNR2CNR1HTR6TBXAS1
SCHEMBL30592469 0.75 CAMK2D (0.46) CNR2CNR1NR1D1TBXA2RPTGER1
SCHEMBL26673710 0.75 CAMK2D (0.46) CNR2CNR1NR1D1TBXA2RPTGER1
SCHEMBL18508715 0.74 DNM2 (0.56) CNR2CNR1ICMTLMNA
SCHEMBL10095336 0.72 SMN1; SMN2 (0.57) CYP19A1SMN1; SMN2

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-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 — — WO disclosed
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