SCHEMBL11404161

SCHEMBL11404161

CCC(=O)OC1CCC(C2CCC(C#N)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.36
▸ CYP19A1 P11511 2/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ HTT P42858 2/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ EPHX2 P34913 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
SCHEMBL11410127 0.87 NAAA (0.44) NAAACYP19A1SMN1; SMN2
SCHEMBL11406577 0.84 NAAA (0.53) NAAAHTTSMN1; SMN2
SCHEMBL11416192 0.83 NAAA (0.59) NAAASMN1; SMN2
SCHEMBL11416260 0.82 NAAA (0.61) NAAASMN1; SMN2
SCHEMBL11414133 0.82 NAAA (0.61) NAAASMN1; SMN2
SCHEMBL11410996 0.82 NAAA (0.61) NAAASMN1; SMN2
SCHEMBL11403214 0.82 NAAA (0.61) NAAASMN1; SMN2
SCHEMBL11410395 0.81 DPP4 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL2253713 0.80 — —
SCHEMBL21765657 0.80 NAAA (0.48) NAAACYP19A1CHRM2CHRM4CHRM1

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
US-4181625-A CARBONITRILES, DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-01-01 — — US claimed
US-4181625-A CARBONITRILES, DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-01-01 — — US disclosed
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