SCHEMBL6920875

SCHEMBL6920875

CCN(CC)CCOc1cccc2c1c1cc(F)ccc1n2Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 2/20 0.42
BIRC5 O15392 1/20 0.40
PLA2G2A P14555 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD1 P21728 1/20 0.39
CRY1 Q16526 1/20 0.38
CRY2 Q49AN0 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL6919998 0.95 MEN1 (0.49) MEN1KMT2AESR1ESR2PLA2G2A
SCHEMBL7505287 0.94 ESR1 (0.44) MEN1KMT2AESR1ESR2BIRC5
SCHEMBL6924574 0.93 ESR1 (0.41) MEN1KMT2AESR1ESR2BIRC5
SCHEMBL6924126 0.93 ESR1 (0.43) MEN1KMT2AESR1ESR2BIRC5
SCHEMBL6921487 0.85 ESR1 (0.43) MEN1KMT2AESR1ESR2BIRC5
SCHEMBL6927305 0.84 ESR1 (0.42) MEN1KMT2AESR1ESR2BIRC5
SCHEMBL6926705 0.84 TP53 (0.43) MEN1KMT2AESR1ESR2BIRC5
SCHEMBL6927241 0.84 DRD2 (0.51) MEN1KMT2AESR1ESR2PLA2G2A
SCHEMBL6927808 0.84 DRD2 (0.46) MEN1KMT2AESR1ESR2PLA2G2A
SCHEMBL6925514 0.84 MAPK1 (0.48) MEN1KMT2AESR1ESR2PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed