SCHEMBL18636712

SCHEMBL18636712

INCCCN1CCC(N2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.47
L3MBTL1 Q9Y468 6/20 0.44
L3MBTL3 Q96JM7 5/20 0.44
KDM1A O60341 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL21303806 0.83 CARM1 (0.47) HRH3L3MBTL1L3MBTL3KDM1A
SCHEMBL14824991 0.81 HRH3 (0.56) HRH3
SCHEMBL20739932 0.80 HRH3 (0.45) HRH3L3MBTL1L3MBTL3KDM1ACYP3A4
SCHEMBL22851679 0.80 HRH3 (0.45) HRH3L3MBTL1L3MBTL3KDM1ACYP3A4
SCHEMBL21386205 0.79 HRH3 (0.52) HRH3L3MBTL1
SCHEMBL24326956 0.77 HRH3 (0.50) HRH3L3MBTL1L3MBTL3KDM1A
SCHEMBL7595350 0.77 HRH3 (0.50) HRH3L3MBTL1L3MBTL3KDM1ACYP3A4
SCHEMBL23182068 0.76 L3MBTL1 (0.54) HRH3L3MBTL1L3MBTL3
SCHEMBL23181938 0.75 HRH3 (0.41) HRH3L3MBTL1L3MBTL3KDM1ACYP3A4
SCHEMBL24081401 0.75 HRH3 (0.61) HRH3

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
WO-2017044792-A1 ACETAMIDE THIENOTRIAZOLDIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-03-16 WO disclosed