SCHEMBL7437442

SCHEMBL7437442

Cc1ccc(C(C(N)=O)N2CCC(=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ADRB2 P07550 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX5 P09917 1/20 0.39
HSD11B1 P28845 2/20 0.38
LMNA P02545 2/20 0.37
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
USP2 O75604 1/20 0.36
TEAD1 P28347 2/20 0.36

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
SCHEMBL1007926 0.85 TSHR (0.59) TSHRADRB2NPSR1SMN1; SMN2HTT
SCHEMBL7426489 0.85 CHRM2 (0.38) TSHRSMN1; SMN2CHRM2CHRM1LMNA
SCHEMBL1007435 0.85 TSHR (0.59) TSHRADRB2NPSR1SMN1; SMN2HTT
SCHEMBL7434817 0.85 LMNA (0.51) TSHRNPSR1LMNA
SCHEMBL1007437 0.85 TSHR (0.59) TSHRADRB2NPSR1SMN1; SMN2HTT
Bromide SCHEMBL9763944 0.84 TSHR (0.58) TSHRADRB2NPSR1SMN1; SMN2HTT
Bromide SCHEMBL9763950 0.84 TSHR (0.58) TSHRADRB2NPSR1SMN1; SMN2HTT
SCHEMBL7431600 0.83 CHRM2 (0.37) TSHRSMN1; SMN2HTTCHRM2CHRM1
SCHEMBL7439650 0.83 CHRM2 (0.56) CHRM2CHRM1ALOX5HSD11B1LMNA
SCHEMBL7278715 0.83 OPRD1 (0.50) TSHRADRB2NPSR1SMN1; SMN2HTT

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed