SCHEMBL13898515

SCHEMBL13898515

OC1(c2ccc(Oc3ccccc3)cc2)CCN(CC2(c3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
CCR3 P51677 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PARP10 Q53GL7 1/20 0.46
LTA4H P09960 2/20 0.45
OPRM1 P35372 3/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CCR1 P32246 1/20 0.44
SLC6A1 P30531 1/20 0.43
SLC6A12 P48065 1/20 0.43
SLC6A11 P48066 1/20 0.43

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
SCHEMBL381873 0.81 OPRL1 (0.75) OPRL1MEN1ALDH1A1LMNAKMT2A
SCHEMBL13898516 0.78 OPRL1 (0.51) OPRL1POLBCCR3SIGMAR1OPRM1
SCHEMBL3894318 0.77 ALDH1A1 (0.50) MEN1ALDH1A1LMNAKMT2APOLB
SCHEMBL3894096 0.76 DRD2 (0.56) OPRL1MEN1ALDH1A1LMNAKMT2A
SCHEMBL3893605 0.75 LMNA (0.49) OPRL1MEN1ALDH1A1LMNAKMT2A
SCHEMBL6161715 0.75 SLC6A2 (0.46) OPRL1ALDH1A1LMNASIGMAR1PARP10
SCHEMBL7129026 0.75 OPRL1 (0.69) OPRL1ALDH1A1LMNAPOLBCCR3
SCHEMBL13898527 0.74 L3MBTL1 (0.63) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL3893161 0.74 OPRL1 (0.68) OPRL1KMT2APOLBCCR3OPRM1
SCHEMBL3893429 0.74 DRD2 (0.49) OPRL1MEN1ALDH1A1LMNAKMT2A

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-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed