SCHEMBL9301630

SCHEMBL9301630

Cc1ccc(OCC(O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TSHR P16473 2/20 0.50
LMNA P02545 3/20 0.49
KMT2A Q03164 4/20 0.48
CACNA1G O43497 4/20 0.48
MEN1 O00255 3/20 0.48
USP2 O75604 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNH2 Q12809 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL9187274 0.90 MAPT (0.60) MAPTTSHRKMT2ACACNA1GMEN1
SCHEMBL9300891 0.89 TSHR (0.64) MAPTTSHRLMNAKMT2ACACNA1G
SCHEMBL9301602 0.89 TSHR (0.64) MAPTTSHRLMNAKMT2ACACNA1G
SCHEMBL9301397 0.86 MAPT (0.57) MAPTTSHRKMT2ACACNA1GMEN1
SCHEMBL9301460 0.86 CACNA1G (0.62) MAPTTSHRKMT2ACACNA1GMEN1
SCHEMBL10379764 0.85 L3MBTL1 (0.62) MAPTTSHRKMT2ACACNA1GMEN1
SCHEMBL9193205 0.85 L3MBTL1 (0.59) MAPTTSHRKMT2ACACNA1GMEN1
SCHEMBL9271436 0.85 CACNA1G (0.67) MAPTTSHRKMT2ACACNA1GMEN1
SCHEMBL9189672 0.83 CACNA1G (0.60) MAPTKMT2ACACNA1GMEN1USP2
SCHEMBL9301222 0.83 MAPT (0.53) MAPTTSHRKMT2ACACNA1GMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342839-A Useful for therapy of oxygen deficiency diseases of the brain BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
EP-0435902-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE. BASF AG (DE) 1991-07-10 EP disclosed
WO-1990003371-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE BASF AKTIENGESELLSCHAFT (DE) 1990-04-05 WO disclosed