SCHEMBL7682776

SCHEMBL7682776

Cc1ccc(S(=O)(=O)N2CCC(F)(F)C(=CC(=O)N3CCN(C)CC3)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
KCNA3 P22001 1/20 0.42
HTR6 P50406 2/20 0.42
POLB P06746 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
AVPR2 P30518 2/20 0.38
AVPR1A P37288 2/20 0.38
OXTR P30559 1/20 0.38
AVPR1B P47901 1/20 0.38
GPR183 P32249 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD2 P14416 2/20 0.37
DRD1 P21728 1/20 0.37
DRD3 P35462 1/20 0.36
MET P08581 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
SCHEMBL7682770 1.00 KCNN4 (0.42) KCNN4KCNA3HTR6POLBALDH1A1
SCHEMBL7678157 0.86 KCNN4 (0.46) KCNN4KCNA3HTR6ALDH1A1CYP2C19
SCHEMBL7678153 0.86 KCNN4 (0.46) KCNN4KCNA3HTR6ALDH1A1CYP2C19
SCHEMBL8672389 0.76 KCNN4 (0.60) KCNN4KCNA3HTR6L3MBTL1CYP2C19
SCHEMBL16639239 0.74 MAPT (0.41) POLBALDH1A1CYP2C19GPR183LMNA
SCHEMBL18926571 0.74 MAPT (0.41) POLBALDH1A1CYP2C19GPR183LMNA
Hydrochloric Acid SCHEMBL9029312 0.70 AVPR2 (0.71) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7679737 0.70 POLB (0.40) POLBALDH1A1L3MBTL1AVPR2AVPR1A
SCHEMBL7679739 0.70 POLB (0.40) POLBALDH1A1L3MBTL1AVPR2AVPR1A
Hydrochloric Acid SCHEMBL8675738 0.70 AVPR2 (0.56) CYP2C19AVPR2AVPR1AOXTRAVPR1B

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
US-6340678-B1 FOR THERAPY OF THREATENED PREMATURE BIRTH OR ABORTION, DYSMENORRHEA, CONTRACTION OF UTERINE SMOOTH MUSCLE, RELEASE OF MILK, ENDOMETRIOSIS, NEED FOR FEEDING CONTROL, DISTURBANCE OF MEMORY, NATRIURESIS, NEED FOR CARBOHYDRATE METABOLISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-22 US disclosed
EP-0987264-A1 4,4-DIFLUORO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPINE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-03-22 EP disclosed