SCHEMBL4733439

SCHEMBL4733439

O=C(Nc1cc(N2CCOCC2)c2ccccc2n1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.55
HPGD P15428 1/20 0.55
GBA1 P04062 2/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 1/20 0.53
MOK Q9UQ07 1/20 0.53
LMNA P02545 1/20 0.52
NCF1 P14598 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PIK3CA P42336 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
USP2 O75604 1/20 0.48
METAP1 P53582 1/20 0.47

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
SCHEMBL4732942 0.87 MOK (0.51) NPSR1KMT2AALDH1A1HPGDGBA1
SCHEMBL4731636 0.79 ALDH1A1 (0.56) ALDH1A1MAPTMOKLMNANCF1
SCHEMBL4729660 0.77 MOK (0.53) ALDH1A1MAPTMOKNCF1PIK3CA
Hydrochloric Acid SCHEMBL4730661 0.76 MOK (0.52) ALDH1A1MAPTMOKNCF1PIK3CA
SCHEMBL5241851 0.74 NCF1 (0.64) NPSR1KMT2AALDH1A1TSHRHPGD
SCHEMBL15503740 0.73 KMT2A (1.00) NPSR1KMT2AALDH1A1TSHRHPGD
SCHEMBL196063 0.71 RXFP1 (0.60) KMT2AHPGDMAPTLMNANPC1
SCHEMBL17302112 0.71 NCF1 (0.56) KMT2AALDH1A1HPGDLMNANCF1
SCHEMBL17302052 0.71 NCF1 (0.56) KMT2AALDH1A1HPGDLMNANCF1
SCHEMBL14332218 0.71 GBA1 (1.00) NPSR1KMT2AALDH1A1HPGDGBA1

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
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO claimed