SCHEMBL7410783

SCHEMBL7410783

NNc1ccccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
P2RY1 P47900 5/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
KIF11 P52732 1/20 0.41
ICAM1 P05362 1/20 0.41

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
SCHEMBL18319356 0.83 CACNA1B (0.49) RXFP1L3MBTL1MAPTKDM4EATM
SCHEMBL1341034 0.80 L3MBTL1 (0.60) L3MBTL1NPSR1MAPTKDM4ECYP1A2
SCHEMBL19563690 0.76 L3MBTL1 (0.56) RXFP1L3MBTL1NPSR1MAPTCYP1A2
SCHEMBL2094927 0.76 L3MBTL1 (0.49) RXFP1L3MBTL1NPSR1MAPTCYP1A2
SCHEMBL4697065 0.76 AR (0.54) L3MBTL1NPSR1MAPTCYP1A2CYP2C9
SCHEMBL9546468 0.76 L3MBTL1 (0.49) RXFP1L3MBTL1NPSR1MAPTCYP1A2
SCHEMBL8941708 0.76 AR (0.54) RXFP1L3MBTL1NPSR1MAPTCYP1A2
SCHEMBL2000120 0.76 TSHR (0.58) L3MBTL1NPSR1ATMGAAALDH1A1
SCHEMBL23591753 0.76 RXFP1 (0.51) RXFP1L3MBTL1NPSR1MAPTKDM4E
SCHEMBL9798371 0.76 LTA4H (0.54) L3MBTL1NPSR1MAPTKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed