SCHEMBL10869872

SCHEMBL10869872

O=C(CCC1CCNCC1)c1ccnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
HTR4 Q13639 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAOA P21397 1/20 0.42
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
KMT2A Q03164 1/20 0.40
FAP Q12884 1/20 0.39
PREP P48147 1/20 0.39
HTR2A P28223 2/20 0.39
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL10949081 0.87 MAOA (0.49) FAAHCNR1CNR2MAOAADRB2
SCHEMBL11169781 0.86 KMT2A (0.59) CNR1CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL10868748 0.81 LMNA (0.55) HTR4NCF1PREP
Cinchotoxin SCHEMBL5677046 0.79 CYP2D6 (0.35) CNR1CNR2CHRNB2CHRNB4CHRNA3
Cinchotoxin SCHEMBL11766533 0.79 CYP2D6 (0.35) CNR1CNR2CHRNB2CHRNB4CHRNA3
Cinchotoxin SCHEMBL11471478 0.79 CYP2D6 (0.35) CNR1CNR2CHRNB2CHRNB4CHRNA3
Cinchotoxin SCHEMBL11471479 0.79 CYP2D6 (0.35) CNR1CNR2CHRNB2CHRNB4CHRNA3
Cinchotoxin SCHEMBL5677040 0.79 CYP2D6 (0.35) CNR1CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL10752091 0.79 ALDH1A1 (0.50) HTR4CNR1CNR2MAOACHRNB2
SCHEMBL10870850 0.79 KDM4E (0.53) CHRNB2CHRNB4CHRNA3CHRNA4

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-4613607-A ANTIARRYTHMIA AGENTS PHARMUKA LABORATOIRES (FR) 1986-09-23 US disclosed
US-4299835-A ANXIOLYTICS PHARMINDUSTRIE (FR) 1981-11-10 US disclosed
US-4237139-A TRANQUILIZERS, ANTIDEPRESSANTS PHARMINDUSTRIE (FR) 1980-12-02 US disclosed