SCHEMBL8636689

SCHEMBL8636689

NC(=O)C1(c2ccncc2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OPRL1 P41146 1/20 0.40
HSD11B1 P28845 1/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
HASPIN Q8TF76 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
HPGD P15428 1/20 0.36
CDC7 O00311 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL8355478 0.98 OPRM1 (0.40) OPRM1OPRL1HSD11B1LMNANPSR1
SCHEMBL5200961 0.87 HSD11B1 (0.46) OPRM1OPRL1HSD11B1LMNANPSR1
Hydrochloric Acid SCHEMBL6504195 0.85 HSD11B1 (0.45) OPRM1OPRL1HSD11B1LMNANPSR1
SCHEMBL7338024 0.84 AKR1C1 (0.47) OPRM1HSD11B1LMNANPSR1CYP2D6
SCHEMBL89807 0.84 LMNA (0.51) OPRM1OPRL1HSD11B1LMNANPSR1
SCHEMBL10002396 0.84 LMNA (0.47) OPRM1OPRL1HSD11B1LMNANPSR1
Hydrochloric Acid SCHEMBL8356143 0.83 AKR1C1 (0.46) OPRM1HSD11B1LMNANPSR1CYP2D6
SCHEMBL5201676 0.82 LMNA (0.51) OPRM1OPRL1HSD11B1LMNANPSR1
SCHEMBL476403 0.82 OPRM1 (0.58) OPRM1OPRL1HSD11B1HDAC1
SCHEMBL7467936 0.81 OPRM1 (0.45) OPRM1OPRL1HSD11B1LMNAKMT2A

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-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed