SCHEMBL5318331

SCHEMBL5318331

CC1(C)CC1C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CAPN1 P07384 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30

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
SCHEMBL5316981 0.81 HTT (0.41) ALDH1A1CAPN1CHRNB2CHRNA3CHRNA4
SCHEMBL294716 0.79 LMNA (0.43) ALDH1A1
SCHEMBL3689317 0.78 CYP2C9 (0.31)
SCHEMBL27709106 0.77 LMNA (0.39) ALDH1A1
SCHEMBL5314830 0.74 CHRNB2 (0.31) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL10967025 0.74 CHRM2 (0.30) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7806653 0.73 GAA (0.39) ALDH1A1
SCHEMBL294867 0.72 PPM1B (0.42) ALDH1A1
SCHEMBL27351069 0.71 MAPT (0.38) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5315160 0.71 PPM1B (0.31) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101008020-A Optically active cyclopropanecarboxamide preparation method LIYANG FUX CHEMICAL CO LTD (CN) 2007-08-01 CN disclosed
WO-2007069841-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CYCLOPROPANE CARBOXAMIDE AND DERIVATIVES THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2007-06-21 WO disclosed