Sugi Predict

Sugi Predict / Compounds / SCHEMBL8774091

SCHEMBL8774091

SCHEMBL8774091

CCC1CCC(CCc2cc(F)c(F)nc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.38
▸ HTR2C P28335 7/20 0.32
▸ HTR2A P28223 6/20 0.32
▸ HCAR2 Q8TDS4 2/20 0.32
▸ MAOA P21397 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ SLC6A4 P31645 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
SCHEMBL8774085 1.00 MAOB (0.38) MAOBHTR2CHTR2AHCAR2MAOA
SCHEMBL8774146 0.95 MAOB (0.35) MAOBHTR2CHTR2AHCAR2
SCHEMBL8774130 0.95 MAOB (0.35) MAOBHTR2CHTR2AHCAR2
SCHEMBL8774142 0.95 MAOB (0.35) MAOBHTR2CHTR2AHCAR2
SCHEMBL8774138 0.95 MAOB (0.35) MAOBHTR2CHTR2AHCAR2
SCHEMBL8774526 0.90 MAOB (0.38) MAOBHTR2CHTR2AHCAR2MAOA
SCHEMBL8774535 0.90 MAOB (0.38) MAOBHTR2CHTR2AHCAR2MAOA
SCHEMBL8774692 0.88 CYP1A2 (0.38) MAOBHTR2CHTR2AHCAR2
SCHEMBL8774702 0.88 CYP1A2 (0.38) MAOBHTR2CHTR2AHCAR2
SCHEMBL8774594 0.86 MAPT (0.36) MAOBHTR2CHTR2AHCAR2

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 — — EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 — — EP disclosed