SCHEMBL8997274

SCHEMBL8997274

CCCCCC1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.46
SPHK1 Q9NYA1 3/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
LSS P48449 3/20 0.43
GAA P10253 1/20 0.42
ESR2 Q92731 1/20 0.41
CNR2 P34972 2/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40

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
SCHEMBL9627141 1.00 HTR2C (0.50) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL9347697 0.98 HTR2C (0.49) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL8997312 0.98 HTR2C (0.49) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL8997244 0.98 HTR2C (0.49) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL9347894 0.97 HTR2C (0.47) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL9351954 0.97 HTR2C (0.47) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL11285346 0.96 HTR2C (0.46) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL9225336 0.96 HTR2C (0.46) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL10453440 0.96 HTR2C (0.46) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL9225330 0.96 HTR2C (0.46) HTR2CMAPTALDH1A1LMNACYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471831-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1996-08-14 EP disclosed
US-5389289-A Chemical and heat resistance MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0471831-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1992-02-26 EP disclosed
WO-1991013947-A2 LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-09-19 WO disclosed