SCHEMBL9871141

SCHEMBL9871141

COc1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.76
SIGMAR1 Q99720 2/20 0.73
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
SSTR5 P35346 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
CCR3 P51677 2/20 0.64
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
DRD4 P21917 1/20 0.61
POLB P06746 1/20 0.60

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
SCHEMBL9872559 0.85 DRD4 (0.78) MCHR1SIGMAR1KMT2AMEN1SMN1; SMN2
SCHEMBL1789399 0.82 MCHR1 (0.76) MCHR1SIGMAR1KMT2AMEN1DRD4
SCHEMBL2390512 0.82 KMT2A (0.70) MCHR1SIGMAR1KMT2AMEN1KDM4E
SCHEMBL2958079 0.82 SSTR5 (0.77) MCHR1KMT2AMEN1SSTR5CCR3
SCHEMBL694949 0.82 SIGMAR1 (0.82) MCHR1SIGMAR1KMT2AMEN1SMN1; SMN2
SCHEMBL2954268 0.82 MCHR1 (0.58) MCHR1SIGMAR1KMT2AMEN1SSTR5
SCHEMBL5577689 0.81 CCR5 (0.61) MCHR1SIGMAR1KMT2AMEN1SMN1; SMN2
SCHEMBL2956222 0.80 SSTR5 (0.67) MCHR1SSTR5
SCHEMBL6500308 0.80 SIGMAR1 (0.81) MCHR1SIGMAR1
SCHEMBL9870172 0.80 MEN1 (0.78) MCHR1SIGMAR1KMT2AMEN1DRD4

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
US-5028616-A Antiarrhythmia Agents G. D. SEARLE & CO. (US) 1991-07-02 US disclosed