SCHEMBL20751685

SCHEMBL20751685

CCc1ccc(C(O)(c2ccc(C)cc2)c2ncccc2N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
ACSS2 Q9NR19 2/20 0.37
HRH3 Q9Y5N1 4/20 0.36
HSD11B1 P28845 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
KHK P50053 1/20 0.34
SLC6A7 Q99884 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
REV1 Q9UBZ9 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20751652 0.85 MAPT (0.45) HRH3MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL17827657 0.82 MAPT (0.42) HRH3MAPTHTTKDM4E
SCHEMBL17827652 0.81 MAPT (0.49) HRH3MAPTHTTALDH1A1KDM4E
SCHEMBL17827707 0.76 CHKA (0.42) HRH3MAPTSMN1; SMN2HTTKDM4E
SCHEMBL17827658 0.74 SLC2A1 (0.41) MAPTSMN1; SMN2HTTKHKKMT2A
SCHEMBL17827653 0.71 MAPT (0.48) HRH3MAPTHTTALDH1A1KDM4E
SCHEMBL17827703 0.68 MAPT (0.50) HRH3HSD11B1MAPTHTTALDH1A1
SCHEMBL7961670 0.68 CHKA (0.52) HRH3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL23655782 0.68 ADRB1 (0.53) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL17827637 0.68 SMN1; SMN2 (0.47) HRH3MAPTSMN1; SMN2ALDH1A1

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
EP-3027608-B1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-02-20 EP disclosed