SCHEMBL27896393

SCHEMBL27896393

O=CNC1CCCN1C(=O)CN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL28826381 0.80 DPP4 (0.40) POLB
SCHEMBL27879615 0.80 PREP (0.35) POLB
SCHEMBL29091403 0.80 DPP4 (0.34) POLB
SCHEMBL27857100 0.80 ALDH1A1 (0.39) ALDH1A1POLBLMNA
SCHEMBL28801602 0.76 PREP (0.42) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL19104795 0.76 SMN1; SMN2 (0.44) POLB
SCHEMBL7408815 0.74 POLB (0.36) POLB
SCHEMBL27879636 0.74 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27896386 0.73 TSHR (0.44) GAAALDH1A1LMNA
SCHEMBL27896408 0.71 MC4R (0.48) ALDH1A1KDM4EPOLB

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-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 — — CN claimed
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
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