SCHEMBL3069013

SCHEMBL3069013

OC(CNc1ccccc1)CN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
DNM1 Q05193 2/20 0.52
RAD52 P43351 1/20 0.52
POLB P06746 1/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
IDO1 P14902 1/20 0.47
MAPT P10636 4/20 0.46
CARM1 Q86X55 2/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
BAX Q07812 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL8893240 0.84 RAD52 (0.46) KDM1ARAD52POLBKDM4ELMNA
SCHEMBL7755648 0.82 KDM1A (0.55) KDM1ADNM1POLBKDM4ELMNA
SCHEMBL8616272 0.79 KMT2A (0.64) KDM1ADNM1LMNAALDH1A1HTT
SCHEMBL8371648 0.77 KDM1A (0.51) KDM1ADNM1KDM4ELMNAALDH1A1
SCHEMBL8616275 0.77 KDM1A (0.51) KDM1ADNM1MEN1KMT2A
SCHEMBL8371646 0.77 KDM1A (0.51) KDM1ADNM1KDM4ELMNAALDH1A1
SCHEMBL12473966 0.76 RAD52 (0.56) RAD52POLBKDM4ELMNAALDH1A1
SCHEMBL7458831 0.76 LMNA (0.56) KDM4ELMNASMN1; SMN2HTTCYP3A4
Hydrochloric Acid SCHEMBL5551352 0.75 RAD52 (0.49) RAD52POLBKDM4ELMNAALDH1A1
SCHEMBL8617252 0.75 KDM1A (0.49) KDM1ADNM1MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11080142-A None JP disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
JP-H1180142-A PRODUCTION OF DIPHENYLALKYL COMPOUND POLA CHEM IND INC 1999-03-26 JP disclosed