SCHEMBL6422364

SCHEMBL6422364

O=C(CCN1c2ccccc2CCc2ccccc21)N1CCc2[nH]cnc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.42
CHRM4 P08173 5/20 0.42
CHRM1 P11229 5/20 0.42
CHRM3 P20309 4/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
ENPP2 Q13822 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL22915949 0.78 NPC1 (0.51) TSHRALDH1A1POLBHPGDMAPT
SCHEMBL22916009 0.76 NPC1 (0.47) TSHRALDH1A1ENPP2
SCHEMBL6421007 0.75 TRPV1 (0.52) TSHRENPP2HPGDSMN1; SMN2HSD17B10
SCHEMBL6418657 0.74 KDM4E (0.51) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL6423786 0.74 CACNA2D1 (0.47) HPGD
SCHEMBL4154205 0.73 ENPP2 (0.36) ENPP2MAPK1PARP1TAAR1
SCHEMBL15492450 0.73 CREBBP (0.47) ENPP2TAAR1
SCHEMBL22915890 0.71 KDM4E (0.47) HPGD
SCHEMBL3455811 0.71 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3TSHR
SCHEMBL6419365 0.70 HSD11B1 (0.43) TSHRALDH1A1ENPP2LMNAMAPT

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-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed