SCHEMBL9239200

SCHEMBL9239200

CCC(CCNC)NC1CCc2cccc(OC)c2C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.55
MTNR1B P49286 7/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
DRD2 P14416 5/20 0.51
DRD3 P35462 4/20 0.51
DRD4 P21917 3/20 0.51

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 SCHEMBL9242416 0.99 MTNR1A (0.54) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8893102 0.90 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9858630 0.90 MTNR1A (0.54) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL7935647 0.89 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9243621 0.88 MTNR1A (0.57) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9240137 0.87 MTNR1A (0.54) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9244875 0.87 MTNR1A (0.57) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9239805 0.87 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL9241018 0.87 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9239621 0.87 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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