SCHEMBL6209953

SCHEMBL6209953

Cc1cc(F)ccc1NC(=O)Cc1cccnc1C1=CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.42
CDK9 P50750 8/20 0.39
CCNT1 O60563 6/20 0.39
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
HTR6 P50406 2/20 0.37
LMNA P02545 1/20 0.37
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL6212034 0.85 CYP1A2 (0.41) WNT3AALDH1A1MAPT
SCHEMBL6215690 0.81 WNT3A (0.47) WNT3AALDH1A1
SCHEMBL6210153 0.81 WNT3A (0.43) WNT3AMAPTHTR6DRD4HTR2A
SCHEMBL7248437 0.80 MAPK1 (0.47) ALDH1A1MAPTLMNA
SCHEMBL6212859 0.80 DRD2 (0.45) WNT3AALDH1A1DRD4
SCHEMBL6214370 0.79 DRD4 (0.45) WNT3ACDK9CCNT1LMNADRD4
SCHEMBL6212381 0.78 MEN1 (0.46) WNT3AALDH1A1MAPTLMNA
SCHEMBL6214919 0.77 KMT2A (0.43) ALDH1A1LMNA
SCHEMBL6211122 0.77 MEN1 (0.43) WNT3ALMNADRD4
SCHEMBL6216012 0.77 DRD4 (0.41) WNT3AALDH1A1MAPTHTR6DRD4

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