SCHEMBL9021906

SCHEMBL9021906

CCOC(=O)CN1CC[C@H](NC(=O)c2cc(Cl)c(N)cc2OC)[C@@H](OC)C1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 19/20 0.75
KCNH2 Q12809 6/20 0.75
USP2 O75604 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64

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
SCHEMBL9021564 1.00 HTR4 (0.75) HTR4KCNH2USP2CYP3A4CYP2D6
SCHEMBL9021574 1.00 HTR4 (0.75) HTR4KCNH2USP2CYP3A4CYP2D6
SCHEMBL9021556 1.00 HTR4 (0.75) HTR4KCNH2USP2CYP3A4CYP2D6
SCHEMBL9021913 1.00 HTR4 (0.75) HTR4KCNH2USP2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9021478 0.99 HTR4 (0.74) HTR4KCNH2USP2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9021461 0.99 HTR4 (0.74) HTR4KCNH2USP2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9021466 0.99 HTR4 (0.74) HTR4KCNH2USP2CYP3A4CYP2D6
SCHEMBL1905248 0.93 HTR4 (0.75) HTR4KCNH2USP2CYP3A4CYP2D6
SCHEMBL12669528 0.93 HTR4 (0.75) HTR4KCNH2USP2CYP3A4CYP2D6
SCHEMBL1897442 0.91 HTR4 (0.76) HTR4KCNH2USP2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640601-B1 BENZAMIDE DERIVATIVE HOKURIKU PHARMACEUTICAL (JP) 1996-12-04 EP disclosed
US-5500422-A FOR TREATING GASTROINTESTINAL DISEASES HOKURIKU SEIYAKU CO. LTD. (JP) 1996-03-19 US disclosed
US-5395832-A Gastrointestinal disorders HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-07 US disclosed
EP-0640601-A1 BENZAMIDE DERIVATIVE HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-01 EP disclosed