SCHEMBL5756984

SCHEMBL5756984

NCCC(c1ccccc1)N1CCC(C(=O)Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CCR5 P51681 4/20 0.42
SLC6A4 P31645 1/20 0.42
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL5755104 0.81 HTR2A (0.47) CYP1A2CYP2C19
SCHEMBL5759913 0.78 PRMT3 (0.56) SLC6A4TSHRLMNACYP1A2CYP3A4
SCHEMBL5757158 0.77 HSD11B1 (0.54) LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25873418 0.77 HRH3 (0.52) L3MBTL1LMNA
SCHEMBL5789773 0.77 L3MBTL1 (0.45) L3MBTL1SLC6A4LMNACYP2C19
Hydrochloric Acid SCHEMBL5756735 0.76 PRMT3 (0.55) SLC6A4TSHRLMNACYP1A2CYP3A4
SCHEMBL6007331 0.75 CCR5 (0.52) CCR5
SCHEMBL17086150 0.73 CYP1A2 (0.59) SLC6A4TSHRLMNACYP1A2CYP3A4
SCHEMBL1155730 0.72 FAAH (0.55) L3MBTL1LMNA
Hydrochloric Acid SCHEMBL5755457 0.72 CYP1A2 (0.57) SLC6A4TSHRLMNACYP1A2CYP3A4

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