SCHEMBL8970424

SCHEMBL8970424

CCC(CCN)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
DPP7 Q9UHL4 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
RRM1 P23921 1/20 0.33
DNM1 Q05193 1/20 0.32
HTT P42858 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL28866263 0.82 CA2 (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL6717845 0.82 TAS1R3 (0.50) CA12CA1CA2MMP1MMP2
SCHEMBL16094266 0.82
SCHEMBL4233769 0.81
Hydrochloric Acid SCHEMBL20186402 0.80 DNM1 (0.40) GABRR1CA12CA1CA2MMP1
SCHEMBL4284738 0.80 CA2 (0.39) CA12CA1CA2MMP1MMP2
SCHEMBL5544819 0.79 GABRR1 (0.39) GABRR1
SCHEMBL5544827 0.79 GABRR1 (0.39) GABRR1
Hydrochloric Acid SCHEMBL10822892 0.79 CA12 (0.50) CA12CA1CA2MMP1MMP2
Benzene SCHEMBL28226502 0.78 LMNA (0.42) CA12CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 WO disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed
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-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US 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