SCHEMBL7327795

SCHEMBL7327795

NCCCNCCCN(CCCN)C(=O)Cc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.53
CHRNA1 P02708 3/20 0.48
CHRNG P07510 3/20 0.48
CHRNB1 P11230 3/20 0.48
CHRND Q07001 3/20 0.48
MC4R P32245 3/20 0.48
MC3R P41968 3/20 0.48
MC5R P33032 2/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GRIA1 P42261 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL7320232 0.84 REN (0.55) RENCHRNA1CHRNGCHRNB1CHRND
SCHEMBL7325202 0.77 REN (0.49) RENMC4RMC3RMC5R
SCHEMBL7323616 0.77 CHRNA1 (0.67) CHRNA1CHRNGCHRNB1CHRNDGRIA1
SCHEMBL7319791 0.75 REN (0.50) RENMC4RMC3R
SCHEMBL22566158 0.75 MC3R (0.58) RENMC4RMC3RMC5R
SCHEMBL21498143 0.74 REN (0.55) RENMC4RMC3RMC5R
SCHEMBL5093230 0.73 DRD2 (0.65) DRD2DRD1TAAR1ENPP2
SCHEMBL19445930 0.72 TRPV1 (0.47) CHRNA1CHRNGCHRNB1CHRNDDRD1
SCHEMBL7328587 0.71 CYP3A4 (0.59)
SCHEMBL21498146 0.70 MAPT (0.45) DRD2DRD1TAAR1

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