SCHEMBL6971671

SCHEMBL6971671

CC(C)(C)C1CN(c2cccc3cccnc23)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A7 Q99884 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TRPV1 Q8NER1 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
HTR1A P08908 2/20 0.41
PRMT5 O14744 1/20 0.41
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.39
GRM1 Q13255 1/20 0.39

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
SCHEMBL4009517 0.85 POLB (0.43) HTR2AHTR2CSLC6A4SLC6A7ALDH1A1
SCHEMBL7845835 0.83 SLC6A7 (0.43) HTR2ASLC6A7TRPV1HTR1AGRM1
SCHEMBL4558300 0.82 SLC6A9 (0.44) HTR2AHTR2CSLC6A7ALDH1A1TSHR
SCHEMBL2217096 0.78 HTR2A (0.60) HTR2AHTR2CSLC6A4ALDH1A1TRPV1
SCHEMBL20142570 0.77 KEAP1 (0.38) SLC6A7
SCHEMBL2760636 0.77 DRD2 (0.51) ALDH1A1TSHRHTR1ANPSR1KMT2A
SCHEMBL23602022 0.77 MAP4K4 (0.53) HTR2AHTR2CSLC6A4TRPV1HTR1A
SCHEMBL17491559 0.77 ADRA2C (0.45) SLC6A7ALDH1A1GAAMAPTUSP2
SCHEMBL30881604 0.77 ADRA2C (0.45) SLC6A7ALDH1A1GAAMAPTUSP2
SCHEMBL7841920 0.76 HRH4 (0.52) HTR2CSLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296954-A1 BICYCLIC LACTAMS AND SULFONAMIDES WITH 5-HT1A-AFFINITY AND USE THEREOF FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA Abbott GmbH & Co. KG (DE) 2003-04-02 EP disclosed
WO-2002002569-A1 SUBSTITUTED THIENOPYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR THE PROPHYLAXIS AND THERAPY OF CEREBRAL ISCHAEMIA ABBOTT GMBH & CO. KG (DE) 2002-01-10 WO disclosed
WO-2002002529-A1 BICYCLIC LACTAMS AND SULFONAMIDES WITH 5-HT1A-AFFINITY AND USE THEREOF FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA ABBOTT GMBH & CO. KG (DE) 2002-01-10 WO disclosed
WO-2002002568-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA KNOLL GMBH (DE) 2002-01-10 WO disclosed