SCHEMBL8791963

SCHEMBL8791963

c1ccc2c3c([nH]c2c1)CCC3NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RB1 P06400 10/20 0.49
NR2E1 Q9Y466 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42

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
Hydrochloric Acid SCHEMBL8793905 0.98 RB1 (0.50) RB1NR2E1SIGMAR1DRD2DRD1
SCHEMBL8822945 0.74 RB1 (0.45) RB1SIGMAR1DRD2DRD1
SCHEMBL24727249 0.73 SIGMAR1 (0.49) RB1NR2E1SIGMAR1DRD2DRD1
SCHEMBL8822941 0.71 SMN1; SMN2 (0.46) RB1SIGMAR1DRD2DRD1
SCHEMBL14473893 0.68 BRD3 (0.58) RB1NR2E1SIGMAR1DRD2DRD1
SCHEMBL8582769 0.68 SIGMAR1 (0.47) RB1NR2E1SIGMAR1DRD2DRD1
SCHEMBL28912217 0.68 NR2E1 (0.50) RB1NR2E1SIGMAR1DRD2DRD1
SCHEMBL28183138 0.68 NR2E1 (0.46) RB1NR2E1SIGMAR1DRD2DRD1
SCHEMBL8153656 0.68 DRD2 (0.44) NR2E1SIGMAR1DRD2DRD1
SCHEMBL8141916 0.68 DRD2 (0.44) NR2E1SIGMAR1DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496314-B1 Substituted 1,2,3,4-tetrahydrocyclopent[b]indoles, 1,2,3,3a,4,8a-hexahydrocyclopent[b]indoles and related compounds, intermediates and a process for the preparation thereof and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1997-10-01 EP disclosed
US-5472975-A Cognition activators, antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-12-05 US disclosed
US-5192789-A Antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-03-09 US disclosed
EP-0496314-A1 Substituted 1,2,3,4-tetrahydrocyclopent[b]indoles, 1,2,3,3a,4,8a-hexahydrocyclopent[b]indoles and related compounds, intermediates and a process for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-29 EP disclosed
US-5100891-A Antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-03-31 US disclosed