SCHEMBL10665348

SCHEMBL10665348

CCN(CC)CCCOc1ccc2ccc(N)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NCF1 P14598 3/20 0.39
PIM1 P11309 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL10662018 0.87 NOS1 (0.41) MCHR1KDM4EALDH1A1NCF1
SCHEMBL10665610 0.82 HTR7 (0.49) NCF1
SCHEMBL6304828 0.80 HTR7 (0.43) MCHR1KDM4EALDH1A1TDP1PIM1
SCHEMBL10758913 0.79 NCF1 (0.45) MCHR1ALDH1A1TDP1NCF1NPC1
SCHEMBL10755563 0.78 NCF1 (0.42) MCHR1NCF1
SCHEMBL4890383 0.74 KDM4E (0.43) KDM4EALDH1A1TDP1RAB9A
SCHEMBL2234368 0.71 KDM4E (0.53) KDM4E
SCHEMBL10665148 0.71 PDK2 (0.39) MCHR1KDM4EALDH1A1NCF1
SCHEMBL10665719 0.70 NOS3 (0.53) MEN1MAPTKMT2A
SCHEMBL7387239 0.70 MCHR1 (0.43) MCHR1KDM4EALDH1A1TDP1NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753933-A ANXIOLYTIS, ANTIEPILEPTICS, MUSCLE RELAXANTS RHONE-POULENC SANTE (FR) 1988-06-28 US disclosed