SCHEMBL9867658

SCHEMBL9867658

COc1cccc(C2SCCN2CCCN)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
DRD2 P14416 2/20 0.43
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
ADRA1A P35348 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRNA7 P36544 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL9865569 0.88 DRD2 (0.38) HTR2CHTR2AHTR2BDRD2KDM4E
SCHEMBL9867999 0.85 PTGS1 (0.49) HTR2CDRD2KDM4EALDH1A1LMNA
SCHEMBL9868136 0.81 ALDH1A1 (0.49) KDM4EALDH1A1LMNATSHR
Phosphoric Acid SCHEMBL9867536 0.79 PTGS1 (0.46) KDM4EALDH1A1LMNATSHRRECQL
SCHEMBL7480157 0.73 DRD2 (0.74) HTR2CHTR2AHTR2BDRD2HSD17B10
SCHEMBL8041653 0.72 DRD2 (0.64) HTR2CDRD2KCNH2
SCHEMBL8041657 0.72 DRD2 (0.64) HTR2CDRD2KCNH2
SCHEMBL9867136 0.72 ALDH1A1 (0.42) ALDH1A1HSD17B10TAAR1
SCHEMBL9865784 0.71 ALDH1A1 (0.42) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL14472858 0.71 RIPK1 (0.43) HTR2CHTR2AHTR2BDRD2KDM4E

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-5028715-A 3-(3''-Aminoalkyl)-2-Arylthiazolidine Compounds SOUTHWEST RESEARCH INSTITUTE (US) 1991-07-02 US claimed