SCHEMBL8972147

SCHEMBL8972147

CCOC(=O)NCCC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ROCK2 O75116 1/20 0.39
ALOX15 P16050 1/20 0.39
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
CHRM1 P11229 1/20 0.38
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
PRMT3 O60678 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
SCHEMBL8395535 0.88 HRH4 (0.45) TPSAB1TPSD1TPSG1HRH4HRH3
SCHEMBL8944499 0.85 EPHX1 (0.49) SIGMAR1HRH4HRH3GLAKMT2A
SCHEMBL8397005 0.85 EPHX1 (0.45) TPSAB1TPSD1TPSG1SIGMAR1HRH4
SCHEMBL3417041 0.83 ALOX15 (0.51) ALOX15GNAI3GNAO1GNAI1CHRM1
SCHEMBL8397097 0.83 EPHX1 (0.51) SIGMAR1HRH4HRH3EPHX1
SCHEMBL8396174 0.83 EPHX1 (0.51) SIGMAR1HRH4HRH3EPHX1
Hydrochloric Acid SCHEMBL29890675 0.82 ALOX15 (0.50) ALOX15GNAI3GNAO1GNAI1CHRM1
SCHEMBL346052 0.81 EPHX1 (0.49) TPSAB1TPSD1TPSG1SIGMAR1ITGB3
SCHEMBL8111965 0.81 HRH4 (0.40) TPSAB1TPSD1TPSG1HRH4HRH3
SCHEMBL27006792 0.79 TPSAB1 (0.42) TPSAB1TPSD1TPSG1SIGMAR1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
US-5463105-A Therapy for cardiovascular, nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5298513-A Serotonin antagonist BAYER AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0332968-B1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1993-06-02 EP disclosed
EP-0270947-B1 SUBSTITUTED BASIC 2-AMINOTETRALINES BAYER AG (DE) 1993-05-19 EP disclosed
US-5153225-A For treating disorders of the central nervous system, cardiovascular system and intestinal tract BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
US-5026857-A Cetnral nervous system disorders; antiserotonine agent BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
US-5021438-A Having affinity for 5-hydroxytryptamine receptors; treating central nervous system and cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed
US-4880802-A CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed
EP-0332968-A1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1989-09-20 EP disclosed
EP-0270947-A2 Substituted basic 2-aminotetralines BAYER AG (DE) 1988-06-15 EP disclosed