SCHEMBL10719600

SCHEMBL10719600

CCCCCCC(C)Oc1ccc(-c2ccc(CCCC)nn2)cc1.CCCCCCC(C)Oc1ccc(-c2ccc(CCCCC)nn2)cc1.CCCCCCCc1ccc(-c2ccc(OC(C)CCCCCC)cc2)nn1.CCCCCCc1ccc(-c2ccc(OC(C)CCCCCC)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.40
HTR2A P28223 6/20 0.40
CHRM1 P11229 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL9235139 0.99 MCHR1 (0.41) MCHR1HTR2ACHRM1L3MBTL1RAB9A
SCHEMBL9240434 0.99 MCHR1 (0.41) MCHR1HTR2ACHRM1L3MBTL1RAB9A
SCHEMBL9239297 0.99 MCHR1 (0.41) MCHR1HTR2ACHRM1L3MBTL1RAB9A
SCHEMBL9240875 0.99 MCHR1 (0.41) MCHR1HTR2ACHRM1L3MBTL1RAB9A
SCHEMBL9237634 0.99 MCHR1 (0.41) MCHR1HTR2ACHRM1L3MBTL1RAB9A
SCHEMBL9240272 0.99 MCHR1 (0.41) MCHR1HTR2ACHRM1L3MBTL1RAB9A
SCHEMBL9236018 0.99 MCHR1 (0.41) MCHR1HTR2ACHRM1L3MBTL1RAB9A
SCHEMBL9240385 0.99 MCHR1 (0.41) MCHR1HTR2ACHRM1L3MBTL1RAB9A
SCHEMBL9630624 0.88 RAB9A (0.49) L3MBTL1RAB9AMAPTCASP3SENP8
SCHEMBL9630649 0.88 RAB9A (0.49) L3MBTL1RAB9AMAPTCASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220297-A1 NITROGEN-CONTAINING HETEROCYCLES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006373-A1 NITROGEN-CONTAINING HETEROCYCLES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed