SCHEMBL4730980

SCHEMBL4730980

O=C(NCCC(c1ccc(Cl)cc1)N1CCCCC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.61
LMNA P02545 2/20 0.58
UTS2R Q9UKP6 4/20 0.56
P2RX7 Q99572 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 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
SCHEMBL492276 0.79 CYP1A2 (0.61) LMNAP2RX7CYP1A2CYP2C9HPGD
SCHEMBL5948063 0.79 EPHX2 (0.79) LMNACYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL5754847 0.76 EPHX2 (0.53) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL5758650 0.74 CCR3 (0.60) EPHX2
SCHEMBL6208905 0.74 TP53 (0.58) TP53LMNAP2RX7
SCHEMBL4618812 0.74 EPHX2 (0.79) LMNACYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL3879297 0.73 MCHR1 (0.66) TP53LMNACYP1A2CYP2C19
SCHEMBL27647648 0.73 TP53 (0.48) TP53LMNAP2RX7CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL6207067 0.73 TP53 (0.57) TP53LMNAP2RX7
SCHEMBL4732616 0.71 UTS2R (1.00) UTS2R

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
WO-2008057543-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-05-15 WO claimed
WO-2008057543-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-05-15 WO disclosed