SCHEMBL10825084

SCHEMBL10825084

O=C(C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.70
▸ LMNA P02545 5/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ SIGMAR1 Q99720 1/20 0.69
▸ KDM4E B2RXH2 2/20 0.68
▸ MEN1 O00255 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ FAAH O00519 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ PHGDH O43175 1/20 0.64
▸ MGLL Q99685 1/20 0.64
▸ MAPT P10636 1/20 0.62
▸ HTT P42858 2/20 0.60
▸ HPGD P15428 1/20 0.60

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
SCHEMBL8299455 0.90 SIGMAR1 (0.67) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL27791391 0.89 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL2850013 0.89 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL611401 0.87 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL16357989 0.85 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL3096649 0.85 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL7973808 0.85 LMNA (0.67) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL1943497 0.85 HRH3 (0.75) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL771507 0.85 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1
SCHEMBL3222136 0.85 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61176578-A — — None — — JP disclosed
JP-61280494-A — — None — — JP disclosed
JP-S61280494-A PRODUCTION OF PIPEMIDIC ACID ROLLER JAPAN KK 1986-12-11 — — JP disclosed
JP-S61176578-A PIPERAZINE DERIVATIVE ROLLER JAPAN KK 1986-08-08 — — JP disclosed
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