SCHEMBL7320232

SCHEMBL7320232

NCCCNCCCN(CCCN)C(=O)Cc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.55
MC4R P32245 1/20 0.46
MC3R P41968 1/20 0.46
GRIA1 P42261 7/20 0.45
CHRNA1 P02708 2/20 0.45
CHRNG P07510 2/20 0.45
CHRNB1 P11230 2/20 0.45
CHRND Q07001 2/20 0.45
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
CHRNB2 P17787 1/20 0.41

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
SCHEMBL7319791 0.84 REN (0.50) RENMC4RMC3RHDAC3HDAC4
SCHEMBL7327795 0.84 REN (0.53) RENMC4RMC3RGRIA1CHRNA1
SCHEMBL7325202 0.78 REN (0.49) RENMC4RMC3R
SCHEMBL18235814 0.77 MC4R (0.54) RENMC4RMC3R
SCHEMBL22566158 0.76 MC3R (0.58) RENMC4RMC3RHDAC1HDAC6
SCHEMBL398742 0.74 CHRNA1 (0.64) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL21498146 0.74 MAPT (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18232425 0.72 MC3R (0.52) RENMC4RMC3RHDAC3HDAC4
SCHEMBL21498143 0.72 REN (0.55) RENMC4RMC3R
SCHEMBL7328587 0.72 CYP3A4 (0.59) GRIN1GRIN2A

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-5218000-A Nervous system disorders, antiischemic agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-06-08 US disclosed
EP-0361687-A1 Therapeutic polyamine-amides BTG INTERNATIONAL LIMITED (GB) 1990-04-04 EP disclosed
WO-1990002114-A1 THERAPEUTIC POLYAMINE-AMIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-08 WO disclosed