SCHEMBL4789441

SCHEMBL4789441

COc1ccc2c(c1)CN(C(=O)OC(Cl)(Cl)Cl)CCO2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.52
GPR142 Q7Z601 8/20 0.46
ABHD6 Q9BV23 1/20 0.44
CREBBP Q92793 1/20 0.43
RYR2 Q92736 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MTNR1A P48039 2/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL807044 0.82 RYR2 (0.58) RIPK1GPR142CREBBPRYR2ESR1
SCHEMBL806996 0.80 RYR2 (0.60) RIPK1GPR142CREBBPRYR2MTNR1A
SCHEMBL10069970 0.80 AKR1C3 (0.55) RIPK1GPR142CREBBPRYR2
SCHEMBL10069977 0.79 RYR2 (0.61) RIPK1GPR142CREBBPRYR2TP53
SCHEMBL8248116 0.77 RYR2 (0.69) RYR2
SCHEMBL10069978 0.77 RYR2 (0.62) RIPK1GPR142CREBBPRYR2
SCHEMBL19657617 0.75 RIPK1 (0.64) RIPK1CREBBPESR2TP53MAPT
SCHEMBL30405260 0.74 RIPK1 (0.48) RIPK1ABHD6CREBBPESR2
SCHEMBL13765601 0.74 RIPK1 (0.48) RIPK1CREBBPESR2
SCHEMBL856288 0.74 RIPK1 (0.48) RIPK1ABHD6CREBBPESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed