SCHEMBL7385238

SCHEMBL7385238

CC1COc2cccc3nc(Cl)n1c23

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.35
HCRTR2 O43614 1/20 0.34
CNR2 P34972 7/20 0.34
CNR1 P21554 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PRMT5 O14744 1/20 0.33
HCAR1 Q9BXC0 1/20 0.31
PSMB8 P28062 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL7388092 1.00 MPO (0.36) MPOMEN1KMT2AMAPTHCRTR2
SCHEMBL9012834 1.00 MPO (0.36) MPOMEN1KMT2AMAPTHCRTR2
SCHEMBL18258131 0.70 SMN1; SMN2 (0.35) MEN1KMT2AMAPTHCRTR2CNR2
SCHEMBL7387257 0.69 MPO (0.37) MPOMEN1KMT2AMAPTHCRTR2
SCHEMBL7395232 0.68 ALDH1A1 (0.32)
SCHEMBL7385347 0.68 ALDH1A1 (0.32)
SCHEMBL6419539 0.68 CNR2 (0.36) MEN1KMT2AMAPTCNR2CNR1
SCHEMBL7391678 0.67 SLC9A1 (0.42)
SCHEMBL7392631 0.67 SLC9A1 (0.42)
SCHEMBL18247382 0.66 CNR2 (0.39) MEN1KMT2AHCRTR2CNR2CNR1

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
US-5589476-A TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS SYNTHELABO (FR) 1996-12-31 US disclosed
EP-0646583-A1 Derivatives of Imidezol-4-yl piperidine, their preparation and use in therapy SYNTHELABO (FR) 1995-04-05 EP disclosed