SCHEMBL9759575

SCHEMBL9759575

CCC(CC)NC1CCc2cccc(C#N)c2C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.38

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
SCHEMBL8674717 0.92 MTNR1A (0.39) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9759071 0.88 MTNR1A (0.42) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9185060 0.85 DRD2 (0.55) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9758460 0.81 MTNR1A (0.41) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9758631 0.81 MTNR1A (0.41) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8891880 0.81 DRD2 (0.51) CYP1A2DRD2DRD3DRD4
SCHEMBL9759328 0.81 PSEN1 (0.42) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9239575 0.80 MTNR1A (0.51) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8893102 0.80 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9531034 0.79 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2CYP2C9DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047422-A Treating A Disorder Of The Central Nervous System, Cardiovascular System Or Intestinal Tract BAYER AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
US-4968679-A DISORDERS OF CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
US-4873262-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed