SCHEMBL7961982

SCHEMBL7961982

CC(=O)N1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ADRA1A P35348 8/20 0.50
ADRA1B P35368 8/20 0.50
ADRA1D P25100 7/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL5240191 0.88 L3MBTL1 (0.49) L3MBTL1ADRA1AADRA1BADRA1DTSHR
SCHEMBL18036632 0.85 ALDH1A1 (0.49) L3MBTL1ALDH1A1ADRA1AADRA1BADRA1D
SCHEMBL24712880 0.82 DRD2 (0.59) ALDH1A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL5234580 0.81 GAA (0.46) L3MBTL1ALDH1A1ADRA1AADRA1BADRA1D
SCHEMBL7835975 0.80 RAB9A (0.46) L3MBTL1ALDH1A1NPSR1ADRA1AADRA1B
SCHEMBL7341055 0.79 TSHR (0.60) L3MBTL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL7947390 0.79 LMNA (0.57) ALDH1A1SMN1; SMN2GAA
SCHEMBL7793932 0.79 AKR1C3 (0.68) L3MBTL1ALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL24712881 0.78 ADRA1A (0.49) L3MBTL1ALDH1A1ADRA1AADRA1BADRA1D
SCHEMBL7719064 0.78 ADRA1A (0.51) ALDH1A1ADRA1AADRA1BADRA1DCYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271234-B1 DERIVATIVES WHICH BIND TO SEROTONERGIC RECEPTORS; TREATING DISORDERS OF THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-08-07 US disclosed