SCHEMBL7969690

SCHEMBL7969690

FC(F)(F)c1cccc2nc(C3CCNCC3)sc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTR2C P28335 6/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
HTR1A P08908 1/20 0.39
SLC6A3 Q01959 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
POLB P06746 1/20 0.36
CACNA1H O95180 1/20 0.35
KCNH2 Q12809 1/20 0.35
PLAT P00750 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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 SCHEMBL28834350 0.78 MEN1 (0.58) MEN1KMT2AHTR2CNPC1RAB9A
SCHEMBL7956610 0.74 HTR2C (0.50) MEN1KMT2AHTR2CCYP1A2CYP2C19
SCHEMBL20767872 0.73 SCN4A (0.48) MEN1KMT2AHTR2CCYP1A2CYP2C19
SCHEMBL7967239 0.73 MEN1 (0.52) MEN1KMT2AHTR2CNPC1RAB9A
SCHEMBL2710382 0.72 KMT2A (1.00) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL7965987 0.70 HTR2C (0.49) MEN1KMT2AHTR2CCYP1A2CYP2C19
SCHEMBL2708511 0.70 NPC1 (0.64) MEN1KMT2AHTR2CNPC1RAB9A
SCHEMBL24820021 0.70 HDAC3 (0.44) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2966860 0.69 HTR2C (0.57) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL7956612 0.69 PARP1 (0.57) HTR2CSLC6A2SLC6A4HTR1ASLC6A3

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-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed