SCHEMBL27296558

SCHEMBL27296558

c1ccc(CN2CCC(Nc3ccccc3)(c3cnn[nH]3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 3/20 0.46
NPFFR2 Q9Y5X5 3/20 0.46
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRL1 P41146 1/20 0.41
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.40
OPRK1 P41145 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL9373846 0.81 NPFFR1 (0.46) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL30122291 0.77 OPRL1 (0.58) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL6045663 0.72 LMNA (0.47) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL6045466 0.72 NPFFR1 (0.46) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL6045515 0.71 NPFFR1 (0.46) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL6123395 0.70 OPRL1 (0.59) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL9744423 0.70 NPFFR1 (0.56) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL6045533 0.70 CYP3A4 (0.45) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL6045459 0.70 NPFFR1 (0.45) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1
SCHEMBL9372890 0.70 NPFFR1 (0.45) NPFFR1NPFFR2SIGMAR1MEN1ALDH1A1

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
CN-1035285-A 4-five rings-4[N-(phenyl) amido of mixing] piperidine derivative and pharmaceutical composition and the method for using this compound BOC LTD (US) 1989-09-06 CN disclosed