SCHEMBL8069766

SCHEMBL8069766

CC1(C)Oc2cc(F)c(C#N)cc2C2OC21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.36
ABCB1 P08183 13/20 0.35
AKR1B1 P15121 1/20 0.34
PGR P06401 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TNKS O95271 1/20 0.31
CYP3A4 P08684 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL8069713 0.76 AKR1B1 (0.36) TRPV4ABCB1AKR1B1CYP3A4
SCHEMBL8069716 0.76 AKR1B1 (0.36) TRPV4ABCB1AKR1B1CYP3A4
SCHEMBL8069718 0.76 AKR1B1 (0.36) TRPV4ABCB1AKR1B1CYP3A4
SCHEMBL13476208 0.75 MAPT (0.38) ABCB1
SCHEMBL8069749 0.75 KDM1A (0.33) AKR1B1
SCHEMBL9371324 0.74 ABCB1 (0.56) ABCB1
SCHEMBL482249 0.74 ABCB1 (0.56) ABCB1
SCHEMBL4023253 0.74 ABCB1 (0.56) ABCB1
SCHEMBL481900 0.74 ABCB1 (0.56) ABCB1
SCHEMBL482676 0.70 ABCC9 (0.37)

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-6071953-A Sulfonamide-substituted chromans, processes for their preparation, their use as medicament or diagnostic aid, and medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-06 US disclosed
EP-0860440-A1 Sulfonamido substituted chromane derivatives with potassium channel blocking activity HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed