SCHEMBL7359013

SCHEMBL7359013

COc1cccc(CCN2CCCC(Cl)C2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.69
SIGMAR1 Q99720 4/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HTR1A P08908 1/20 0.55
SLC6A4 P31645 1/20 0.55

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
SCHEMBL7359002 1.00 HRH3 (0.69) HRH3SIGMAR1MEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL9752578 0.99 HRH3 (0.67) HRH3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL6801436 0.96 HRH3 (0.71) HRH3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL8938430 0.85 HRH3 (0.69) HRH3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL4806889 0.84 HRH3 (0.66) HRH3SIGMAR1MEN1KMT2A
SCHEMBL7355512 0.84 HRH3 (0.66) HRH3SIGMAR1MEN1KMT2A
SCHEMBL4806896 0.84 HRH3 (0.66) HRH3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9668778 0.84 HRH3 (0.67) HRH3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL10669091 0.82 HRH3 (1.00) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL17294993 0.81 HRH3 (0.97) HRH3SIGMAR1HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889043-B1 5,11-DIHYDRODIBENZ b,e] 1,4]OXAZEPINE DERIVATIVES AND DRUG COMPOSITIONS CONTAING THE DERIVATIVES AJINOMOTO KK (JP) 2001-08-29 EP disclosed
US-6127361-A FOR TREATMENT OR PREVENTION OF GASTROINTESTINAL MOVING FUNCTION DISORDERS, IRRITABLE BOWEL SYNDROME AJINOMO CO., INC. (JP) 2000-10-03 US disclosed
EP-0889043-A1 5,11-DIHYDRODIBENZ b,e] 1,4]OXAZEPINE DERIVATIVES AND DRUG COMPOSITIONS CONTAING THE DERIVATIVES Ajinomoto Co., Inc. (JP) 1999-01-07 EP disclosed