SCHEMBL8691723

SCHEMBL8691723

O=C(c1ccccc1)N1CCC(CCN2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 4/20 0.54
ACHE P22303 1/20 0.54
USP2 O75604 1/20 0.54
CHRM3 P20309 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53

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
SCHEMBL25239794 0.89 CHRM3 (0.64) HPGDALDH1A1USP2CHRM3KMT2A
SCHEMBL7824996 0.85 HTT (0.61)
SCHEMBL3458030 0.81 HDAC3 (0.64) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL7364546 0.81 HDAC3 (0.64) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL7320522 0.81 HDAC3 (0.64) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL7634958 0.81 KMT2A (0.71) HPGDL3MBTL1ALDH1A1USP2KMT2A
SCHEMBL8545177 0.80 HDAC3 (0.63) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL10274485 0.80 HDAC3 (0.67) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL543404 0.80 HDAC3 (0.67) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL8541372 0.80 HDAC3 (0.56) HPGDHDAC3HDAC4HDAC1HDAC7

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
US-5760035-A PIPERIDINE COMPOUNDS SUBSTITUTED WITH AN AMINOALKYL GROUP AND AN ARYLOXYALKYL GROUP, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0720602-B1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1997-07-09 EP disclosed
EP-0720602-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1996-07-10 EP disclosed
WO-1995008535-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1995-03-30 WO disclosed