SCHEMBL11370835

SCHEMBL11370835

CN1CCCC1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HTR6 P50406 7/20 0.51
CHRNB2 P17787 2/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNB3 Q05901 1/20 0.48
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46

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
SCHEMBL11386609 0.83 HTR1B (0.50) HTR6HTR1DHTR1B
SCHEMBL11375404 0.81 HTR6 (0.56) HTR6HTR1DHTR1B
SCHEMBL11369857 0.78 CHRNB2 (0.54) TSHRHTR6CHRNB2CHRNB1CHRNB4
SCHEMBL8209088 0.77 HTR1B (0.76) HTR6HTR1DHTR1BGABRPGABRD
SCHEMBL8209086 0.77 HTR1B (0.76) HTR6HTR1DHTR1BGABRPGABRD
SCHEMBL11372986 0.76 ADRA1A (0.55) HTR6CHRNB4CHRNA3HTR1DHTR1B
SCHEMBL11469642 0.76 HTR6 (0.50) HTR6HTR1DHTR1BKDM4EALDH1A1
SCHEMBL4278447 0.73 CHRNB2 (0.49) TSHRHTR6CHRNB2KDM4EALDH1A1
SCHEMBL4813527 0.73 SLC18A2 (0.50) TSHRKDM4EALDH1A1POLBTDP1
SCHEMBL11379296 0.73 HTR6 (0.47) HTR6CHRNB2CHRNB1CHRNB4CHRNA3

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-4279918-A ANTIDEPRESSANTS, STIMULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK G.M.B.H. (DE) 1981-07-21 US disclosed