SCHEMBL5754847

SCHEMBL5754847

O=C(NCCC(c1ccccc1)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
SCD O00767 1/20 0.46
CCR3 P51677 1/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TPSAB1 Q15661 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
ACHE P22303 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CHRM4 P08173 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 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
SCHEMBL5758045 0.86 HTR2A (0.44) SCDCCR3F2F10PRSS1
SCHEMBL5758650 0.84 CCR3 (0.60) EPHX2CCR3ACHECHRM4MEN1
SCHEMBL5757058 0.82 SLC18A3 (0.47) CCR3HTR2ATPSAB1CTSLCTSB
Hydrochloric Acid SCHEMBL5755104 0.81 HTR2A (0.47) CCR3F2F10PRSS1HTR2A
SCHEMBL5758947 0.80 SIGMAR1 (0.46) CCR3MEN1KMT2A
SCHEMBL5756913 0.80 CYP2C19 (0.51) SMN1; SMN2CYP2C9CYP2C19CYP1A2
SCHEMBL4730980 0.76 TP53 (0.61) EPHX2CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL5757158 0.75 HSD11B1 (0.54) HTR2ASMN1; SMN2CYP1A2
SCHEMBL9377800 0.73 HSD11B1 (0.57) HTR2ASMN1; SMN2CYP1A2
SCHEMBL492276 0.71 CYP1A2 (0.61) EPHX2CCR3CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP claimed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP claimed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO claimed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed