SCHEMBL9157091

SCHEMBL9157091

CC[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TAS1R3 Q7RTX0 5/20 0.44
▸ TAS1R1 Q7RTX1 5/20 0.44
▸ TAS1R2 Q8TE23 5/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 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
SCHEMBL9155166 0.84 TAS1R3 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2ATAS1R3
SCHEMBL9153874 0.81 TAS1R3 (0.44) ALDH1A1SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL4735546 0.78 TAS1R3 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATAS1R3
SCHEMBL3165964 0.78 ALDH1A1 (0.68) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10900102 0.77 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL31583752 0.76 P2RX7 (0.58) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5586122 0.73 SSTR3 (0.51) TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL13990832 0.73 SSTR3 (0.51) TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL10898564 0.71 HPGD (0.47) HSD11B1SMN1; SMN2MEN1KMT2ATAS1R3
SCHEMBL13702282 0.71 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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-5416103-A N-cyclohex(en)yl-pyridine carboxamides and compositions containing them for controlling fungal pests BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 — — US claimed
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