SCHEMBL10909654

SCHEMBL10909654

COc1cc2c(CCN)c[nH]c2c(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.57
TRPM8 Q7Z2W7 2/20 0.47
MAPT P10636 2/20 0.47
HTR1A P08908 2/20 0.47
HTR1D P28221 2/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
HTR4 Q13639 1/20 0.47
TAAR1 Q96RJ0 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7893103 0.78 MTNR1A (0.69) HTR1ACYP1A2NFKB1NPSR1BLM
SCHEMBL11358975 0.78 HTR2A (0.62) HTR2ATRPM8MAPTHTR1AHTR1D
SCHEMBL8202576 0.77 HTR2A (0.61) HTR2ATRPM8MAPTHTR1AHTR1D
SCHEMBL14095640 0.77 HTR2A (0.57) HTR2ATRPM8MAPTHTR1AHTR1D
SCHEMBL2540560 0.77 CYP1A2 (0.63) HTR2ATRPM8MAPTHTR1AHTR1D
SCHEMBL7890134 0.76 MTNR1A (0.64) CYP1A2NFKB1NPSR1MEN1KMT2A
SCHEMBL7850885 0.75 HTR2A (0.63) HTR2ATRPM8MAPTHTR1AHTR1D
SCHEMBL9672887 0.74 HTR2A (0.49) HTR2AHTR2C
SCHEMBL8711714 0.74 MPO (0.51) MAPTCYP1A2NFKB1MEN1KMT2A
Hydrochloric Acid SCHEMBL7683721 0.74 NPSR1 (0.64) HTR2ATRPM8MAPTHTR1AHTR1D

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-4614807-A ANTIFERTILITY AGENTS ELI LILLY AND COMPANY (US) 1986-09-30 US disclosed