SCHEMBL10382467

SCHEMBL10382467

c1ccc(C(SC2CCN(CCn3cc4ccccc4c3)CC2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.40
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL7978284 0.80 CARM1 (0.51) KCNA3CARM1PRMT6SIGMAR1KDM4E
SCHEMBL7979644 0.76 DRD2 (0.50)
SCHEMBL10382960 0.76 CHRM2 (0.58) SIGMAR1CYP2D6HTR2AHTR2CSLC6A2
Hydrochloric Acid SCHEMBL9353077 0.76 KDM1A (0.46) KCNA3SIGMAR1KDM4ECYP1A2CYP3A4
SCHEMBL7965918 0.75 CHRM2 (0.51) KDM4ECYP2D6HTR2AHTR2CSLC6A2
Hydrochloric Acid SCHEMBL9353093 0.74 KDM1A (0.48) KCNA3SIGMAR1CYP1A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL9356760 0.73 MAPK1 (0.53) KDM4ECYP2D6TSHRHTR2AHTR2C
SCHEMBL10382466 0.73 CYP2D6 (0.36) CYP2D6HTR2AHTR2CSLC6A3
SCHEMBL10382462 0.72 HTR7 (0.56)
Hydrochloric Acid SCHEMBL9352871 0.71 HRH1 (0.55) CYP1A2CYP3A4CYP2D6HTR2ASLC6A2

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-4968705-A ANTIINFLAMMATORY AGENTS FOR RESPIRATORY SYSTEM DISORDERS ADIR ET CIE (FR) 1990-11-06 US disclosed