SCHEMBL5696301

SCHEMBL5696301

O=C(O)[C@@]1(C(CCc2ccccc2)CCc2ccccc2)CCCCN1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CXCR2 P25025 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ANPEP P15144 2/20 0.35
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
ACE P12821 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
SCHEMBL1818488 0.70 AKR1C1 (0.37) TSHRAKR1C1
SCHEMBL23884534 0.70 AKR1C1 (0.37) TSHRAKR1C1
SCHEMBL7455945 0.69 SLC6A2 (0.52) AKR1C1HTT
SCHEMBL8083651 0.69 SLC6A2 (0.52) AKR1C1HTT
SCHEMBL1819009 0.68 ARG1 (0.50) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL11243304 0.68 LMNA (0.37) TSHRAKR1C1SMN1; SMN2HPGD
SCHEMBL29274948 0.68 ARG1 (0.50) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL10992272 0.68 LMNA (0.37) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL11239413 0.68 LMNA (0.37) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9763836 0.67 ALDH1A1 (0.40) MEN1KMT2ACYP2C19AKR1C1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666053-A1 Methods and compositions for stimulating neurite growth using compounds with affinity for fkbp12 in combination with neurotrophic factors Vertex Pharmceuticals Incorporated (US) 2006-06-07 EP claimed
EP-0941113-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-09-15 EP claimed
WO-1998020893-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO claimed
CN-1168443-C Methods and compsns. for stimulating neurite growth using compounds with affinity for FKBP12 in combination with neurotrophic factors ��̩��˹ҩ��ɷ����޹�˾ 2004-09-29 CN disclosed
CN-1239434-A Methods and compsns. for stimulating neurite growth using compounds with affinity for FKBP12 in combination with neurotrophic factors VERTED PHARMACEUTICALS INC (US) 1999-12-22 CN disclosed