SCHEMBL6240374

SCHEMBL6240374

O=C(CN1CC=C(C2=NC=CCC2)CC1)Nc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
DRD4 P21917 1/20 0.42
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6243775 0.87 KDM4E (0.43) MAPTPOLBPKMKDM4ELMNA
SCHEMBL6239012 0.79 KMT2A (0.43) MAPTRAB9APOLBTSHRALDH1A1
SCHEMBL6240789 0.78 MAPT (0.48) MAPTTSHRALDH1A1KDM4ELMNA
SCHEMBL4009678 0.78 RAB9A (0.52) MAPTRAB9APOLBTSHRALDH1A1
SCHEMBL6244316 0.77 HTT (0.53) MAPTPOLBALDH1A1KDM4ELMNA
SCHEMBL6242558 0.77 KDM4E (0.53) MAPTRAB9APOLBALDH1A1KDM4E
SCHEMBL4002897 0.76 RAB9A (0.49) MAPTRAB9APOLBTSHRALDH1A1
SCHEMBL6244798 0.74 CYP2D6 (0.55) MAPTPOLBALDH1A1PKMKMT2A
SCHEMBL4002538 0.73 KMT2A (0.55) MAPTRAB9APOLBTSHRALDH1A1
SCHEMBL6239771 0.72 HTR1A (0.43) LMNA

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
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP claimed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO claimed