SCHEMBL24144137

SCHEMBL24144137

CNCCn1cc(CC(C)C)c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CNR2 P34972 4/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38
▸ HTR6 P50406 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ RXRA P19793 1/20 0.34

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
SCHEMBL24144136 0.85 CYP19A1 (0.44) NR1D1SMN1; SMN2CNR2CNR1TBXA2R
SCHEMBL24144536 0.79 NR1D1 (0.71) NR1D1
SCHEMBL30592469 0.79 CAMK2D (0.46) NR1D1SMN1; SMN2CNR2CNR1TBXA2R
SCHEMBL26673710 0.79 CAMK2D (0.46) NR1D1SMN1; SMN2CNR2CNR1TBXA2R
SCHEMBL24143488 0.79 NR1D1 (0.44) NR1D1SMN1; SMN2CNR2CNR1TBXA2R
SCHEMBL24144934 0.77 NR1D1 (0.42) NR1D1SMN1; SMN2CNR2CNR1TBXA2R
SCHEMBL24143978 0.71 SMN1; SMN2 (0.36) NR1D1SMN1; SMN2CNR2CNR1TBXAS1
SCHEMBL24143495 0.69 NR1D1 (0.41) NR1D1SMN1; SMN2CNR2CNR1GSK3B
SCHEMBL22122330 0.69 LMNA (0.45) SMN1; SMN2CNR2CNR1TBXAS1HTR6
SCHEMBL24142955 0.68 ICMT (0.44) NR1D1SMN1; SMN2GAA

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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