SCHEMBL7416028

SCHEMBL7416028

CCCCCN(c1ccccc1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.44
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL28884912 0.82 SIGMAR1 (0.42) SIGMAR1
SCHEMBL29150713 0.80 TACR1 (0.40) TACR1NPC1JAK2RAB9APAX8
SCHEMBL10731691 0.77 SLC6A2 (0.44) TACR1SIGMAR1CHRM2CHRM1CHRM3
Piperazine SCHEMBL28177083 0.74 MEN1 (0.48) SIGMAR1
SCHEMBL4936112 0.72 SIGMAR1 (0.39) SIGMAR1
SCHEMBL21590186 0.71 MC4R (0.44) SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL720769 0.70 NPC1 (0.50) TACR1NPC1JAK2RAB9APAX8
SCHEMBL27489076 0.70 LMNA (0.40) NPC1RAB9ASIGMAR1
SCHEMBL4421969 0.70 TACR1 (0.53) TACR1NPC1JAK2RAB9APAX8
SCHEMBL2249240 0.70 SIGMAR1 (0.42) SIGMAR1

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
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed