SCHEMBL7678153

SCHEMBL7678153

Cc1ccc(S(=O)(=O)N2CCC(F)(F)/C(=C\C(=O)O)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
KCNA3 P22001 1/20 0.46
AVPR2 P30518 1/20 0.44
AVPR1A P37288 1/20 0.44
CYP2C19 P33261 2/20 0.42
MAPT P10636 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7678157 1.00 KCNN4 (0.46) KCNN4KCNA3AVPR2AVPR1ACYP2C19
SCHEMBL16639239 0.87 MAPT (0.41) CYP2C19MAPTCYP2C9LMNAGAA
SCHEMBL18926571 0.87 MAPT (0.41) CYP2C19MAPTCYP2C9LMNAGAA
SCHEMBL7682770 0.86 KCNN4 (0.42) KCNN4KCNA3AVPR2AVPR1ACYP2C19
SCHEMBL7682776 0.86 KCNN4 (0.42) KCNN4KCNA3AVPR2AVPR1ACYP2C19
SCHEMBL8672389 0.81 KCNN4 (0.60) KCNN4KCNA3CYP2C19MAPTCYP3A4
SCHEMBL16628529 0.78 LMNA (0.39) MAPTLMNAGAAMEN1KMT2A
SCHEMBL16628531 0.78 LMNA (0.39) MAPTLMNAGAAMEN1KMT2A
SCHEMBL6605034 0.77 KMT2A (0.51) KCNN4KCNA3MAPTLMNANPSR1
SCHEMBL6605044 0.77 KMT2A (0.51) KCNN4KCNA3MAPTLMNANPSR1

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