SCHEMBL9239204

SCHEMBL9239204

CNCCCCCNC1CCc2cccc(OC)c2C1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.65
DRD3 P35462 4/20 0.65
DRD4 P21917 3/20 0.60
MTNR1A P48039 6/20 0.57
MTNR1B P49286 6/20 0.57
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55

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 SCHEMBL9242418 0.99 DRD2 (0.63) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8894131 0.87 DRD2 (0.83) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL2025138 0.84 DRD2 (0.82) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL2025960 0.84 DRD2 (0.82) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL2025137 0.84 DRD2 (0.82) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL9237524 0.84 DRD2 (0.63) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL2024400 0.83 DRD2 (0.81) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9239055 0.83 DRD2 (0.62) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9243556 0.83 DRD2 (0.62) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8892023 0.81 DRD2 (0.82) DRD2DRD3DRD4MTNR1AMTNR1B

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-5463105-A Therapy for cardiovascular, nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
US-5298513-A Serotonin antagonist BAYER AKTIENGESELLSCHAFT (DE) 1994-03-29 US 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-5026857-A Cetnral nervous system disorders; antiserotonine agent BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
US-4880802-A CENTRAL NERVOUS SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed
EP-0270947-A2 Substituted basic 2-aminotetralines BAYER AG (DE) 1988-06-15 EP disclosed