SCHEMBL6216155

SCHEMBL6216155

O=C(Cc1cccnc1C1=CCNCC1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
P2RY1 P47900 2/20 0.44
MAPT P10636 1/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 1/20 0.42
DHODH Q02127 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
NTRK1 P04629 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.40
KCNA5 P22460 1/20 0.40

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
SCHEMBL6215690 0.86 WNT3A (0.47) TRPV1KMT2AMEN1NPC1TSHR
SCHEMBL7248437 0.81 MAPK1 (0.47) MAPTKMT2AMEN1RAB9ACYP1A2
SCHEMBL6212859 0.79 DRD2 (0.45) KDRKMT2AMEN1NPC1HPGD
SCHEMBL6216012 0.76 DRD4 (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6212381 0.75 MEN1 (0.46) MAPTKMT2AMEN1RAB9A
SCHEMBL6210153 0.74 WNT3A (0.43) MAPTKMT2AMEN1
SCHEMBL6214919 0.74 KMT2A (0.43) KMT2AMEN1NPC1TSHRRAB9A
SCHEMBL6212034 0.74 CYP1A2 (0.41) MAPTKMT2AMEN1RAB9ACYP1A2
SCHEMBL6214978 0.74 EPHX2 (0.41) KMT2ANPC1TSHRRAB9A
SCHEMBL6214370 0.74 DRD4 (0.45) TSHRSMN1; SMN2

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