SCHEMBL6214978

SCHEMBL6214978

O=C(Cc1cccnc1C1=CCNCC1)NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6214075 0.82 P2RX7 (0.42) EPHX2ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL6215690 0.79 WNT3A (0.47) ALDH1A1KMT2AKDM4EGAATSHR
SCHEMBL6216012 0.76 DRD4 (0.41) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7248437 0.76 MAPK1 (0.47) ALDH1A1KMT2AGAARAB9A
SCHEMBL6212381 0.76 MEN1 (0.46) ALDH1A1KMT2AKDM4EGAARAB9A
SCHEMBL6210153 0.75 WNT3A (0.43) KMT2A
SCHEMBL6212034 0.75 CYP1A2 (0.41) ALDH1A1KMT2AGAARAB9A
SCHEMBL6214919 0.75 KMT2A (0.43) ALDH1A1KMT2AGAATSHRNPC1
SCHEMBL6209953 0.73 WNT3A (0.42) ALDH1A1
SCHEMBL6211122 0.73 MEN1 (0.43) KMT2AKDM4ERAB9A

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