SCHEMBL1445010

SCHEMBL1445010

CCCCCNn1nccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CYP4Z1 Q86W10 5/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
EPHX1 P07099 5/20 0.37
NAAA Q02083 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
NOS1 P29475 1/20 0.33
DNM2 P50570 2/20 0.32
TBXAS1 P24557 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL1824038 0.71 CYP4Z1 (0.41) ALDH1A1TSHRCYP4Z1GNAI3GNAO1
SCHEMBL529880 0.71 TBXAS1 (0.47) ALDH1A1TSHRCYP4Z1GNAI3GNAO1
SCHEMBL21796145 0.70 CYP4Z1 (0.43) CYP4Z1GNAI3GNAO1GNAI1EPHX1
SCHEMBL28881459 0.70 TBXAS1 (0.50) ALDH1A1TSHRCYP4Z1GNAI3GNAO1
SCHEMBL10770404 0.70 TBXAS1 (0.50) ALDH1A1TSHRCYP4Z1GNAI3GNAO1
SCHEMBL11883639 0.68 ALDH1A1 (0.40) ALDH1A1TSHRCYP4Z1GNAI3GNAO1
SCHEMBL515050 0.67 CYP4Z1 (0.37) ALDH1A1TSHRCYP4Z1GNAI3GNAO1
SCHEMBL8665131 0.64 GNAI3 (0.67) ALDH1A1TSHRCYP4Z1GNAI3GNAO1
SCHEMBL4317994 0.64 TBXAS1 (0.43) ALDH1A1TSHRTBXAS1
Dipentylamine SCHEMBL62012 0.59 TSHR (1.00) ALDH1A1TSHREPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10576148-B2 Use of VAP-1 inhibitors for treating fibrotic conditions BIOTIE THERAPIES CORP. (FI) 2020-03-03 US disclosed
US-20180071388-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP. (FI) 2018-03-15 US disclosed
EP-2475387-B1 VAP-1 INHIBITORS FOR USE IN TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP (FI) 2017-11-01 EP disclosed
US-9795671-B2 Use of VAP-1 inhibitors for treating fibrotic conditions BIOTIE THERAPIES CORP. (FI) 2017-10-24 US disclosed
US-20130195883-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS THE UNIVERSITY OF BIRMINGHAM (GB) 2013-08-01 US disclosed
EP-2475387-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS Biotie Therapies Corp. (FI) 2012-07-18 EP disclosed
WO-2011029996-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP. (FI) 2011-03-17 WO disclosed