SCHEMBL8545666

SCHEMBL8545666

O=C(c1ccccc1)N1CCC(CCn2cnc3ccccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.63
HTT P42858 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HRH3 Q9Y5N1 5/20 0.53
NAMPT P43490 1/20 0.52
EGLN3 Q9H6Z9 1/20 0.52
CCR5 P51681 2/20 0.50
ADRA2A P08913 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL1581855 0.89 LMNA (0.67) LMNATSHRHTTNPSR1HRH3
SCHEMBL22121507 0.85 LMNA (0.61) LMNATSHRHTTNPSR1HRH3
SCHEMBL8542324 0.82 HTT (0.58) LMNATSHRHTTNPSR1EGLN3
SCHEMBL8543429 0.81 HDAC3 (0.50) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5460551 0.79 LMNA (0.57) LMNATSHRHTTNPSR1EGLN3
SCHEMBL8544948 0.77 HDAC3 (0.50) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8544090 0.77 FAAH (0.51) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL1581991 0.77 CCR5 (0.52) LMNATSHRHTTNPSR1HRH3
SCHEMBL8541372 0.75 HDAC3 (0.56) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL8539959 0.75 LMNA (0.76) LMNATSHRHTTNPSR1EGLN3

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
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed