SCHEMBL7695086

SCHEMBL7695086

N#CC1CCCC(Cc2ccccc2)(Cc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
LTA4H P09960 1/20 0.36
RORC P51449 2/20 0.35
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GAA P10253 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KDM1A O60341 2/20 0.32

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
SCHEMBL27767907 0.79 MAOA (0.40) MAOAMAOBOPRM1OPRL1GAA
SCHEMBL28015460 0.76 MAOA (0.44) MAOAMAOBOPRM1OPRL1GAA
SCHEMBL7532162 0.76 ALDH1A1 (0.41) MAOAMAOBOPRM1OPRL1GAA
SCHEMBL8347115 0.75 MAOA (0.54) DPP4MAOAMAOBOPRM1OPRL1
SCHEMBL156160 0.75 MAOA (0.54) MAOAMAOBOPRM1OPRL1GAA
SCHEMBL28001928 0.74 MAOA (0.39) DPP4MAOAMAOBOPRM1OPRL1
SCHEMBL28001926 0.74 MAOA (0.39) MAOAMAOBOPRM1OPRL1GAA
SCHEMBL1588016 0.73 MAOA (0.52) MAOAMAOBOPRM1OPRL1GAA
SCHEMBL4581280 0.73 MAOA (0.52) MAOAMAOBOPRM1OPRL1GAA
SCHEMBL268688 0.73 MAOA (0.52) MAOAMAOBOPRM1OPRL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed
US-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US disclosed