SCHEMBL6568327

SCHEMBL6568327

Clc1ccccc1[C@H]1CCC[C@@H]1c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
NOS1 P29475 3/20 0.46
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC9A1 P19634 1/20 0.42
SLC6A2 P23975 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
OPRL1 P41146 1/20 0.40
HPGD P15428 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
SCHEMBL6567736 1.00 DPP4 (0.52) DPP4HTR2AHTR2CHTR2BNOS1
SCHEMBL6567731 1.00 DPP4 (0.52) DPP4HTR2AHTR2CHTR2BNOS1
SCHEMBL6568329 1.00 DPP4 (0.52) DPP4HTR2AHTR2CHTR2BNOS1
SCHEMBL21452231 0.86 CDK4 (0.45) DPP4HTR2AHTR2CHTR2BTP53
SCHEMBL29851647 0.86 DPP4 (0.58) DPP4HTR2AHTR2CHTR2BNOS1
SCHEMBL13598558 0.86 DPP4 (0.58) DPP4HTR2AHTR2CHTR2BNOS1
SCHEMBL18611826 0.82 HTR2A (0.45) DPP4HTR2AHTR2CHTR2BNOS1
SCHEMBL6567398 0.81 CDK4 (0.48) DPP4HTR2AHTR2CHTR2BTP53
SCHEMBL6567402 0.81 CDK4 (0.48) DPP4HTR2AHTR2CHTR2BTP53
SCHEMBL6567401 0.81 CDK4 (0.48) DPP4HTR2AHTR2CHTR2BTP53

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
EP-1280811-B1 HYDROFORMYLATION METHOD, BRIDGED COMPOUNDS OF PHOSPHORUS, ARSENIC AND ANTIMONY AND CATALYST COMPRISING A COMPLEX OF SAID BRIDGED COMPOUNDS BASF AG (DE) 2004-10-13 EP disclosed
EP-1280811-A1 HYDROFORMYLATION METHOD, BRIDGED COMPOUNDS OF PHOSPHORUS, ARSENIC AND ANTIMONY AND CATALYST COMPRISING A COMPLEX OF SAID BRIDGED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-02-05 EP disclosed
WO-2001085739-A1 HYDROFORMYLATION METHOD, BRIDGED COMPOUNDS OF PHOSPHORUS, ARSENIC AND ANTIMONY AND CATALYST COMPRISING A COMPLEX OF SAID BRIDGED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-11-15 WO disclosed