SCHEMBL7679739

SCHEMBL7679739

CN1CCN(C(=O)C=C2c3ccccc3NCCC2(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
AVPR2 P30518 3/20 0.35
AVPR1A P37288 2/20 0.35
KIT P10721 1/20 0.35
AURKB Q96GD4 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL7679737 1.00 POLB (0.40) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL14590035 0.80 TGM2 (0.44) ALDH1A1MAPTNPSR1NPC1KDM4E
SCHEMBL3557118 0.79 AVPR2 (0.35) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL3557117 0.79 AVPR2 (0.35) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL14590031 0.77 ALDH1A1 (0.34) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL7680383 0.72 CYP2C19 (0.45) ALDH1A1KDM4E
SCHEMBL7682770 0.70 KCNN4 (0.42) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7682776 0.70 KCNN4 (0.42) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL5377463 0.70 SLC6A2 (0.35) ALDH1A1KDM4EAVPR2AVPR1A
SCHEMBL5377456 0.70 SLC6A2 (0.35) ALDH1A1KDM4EAVPR2AVPR1A

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