SCHEMBL4787627

SCHEMBL4787627

C#CN(C)Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.41
MAOB P27338 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
CHRM5 P08912 1/20 0.38
CHKA P35790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 3/20 0.37
PYCR1 P32322 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 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
SCHEMBL5513951 0.79 MMP13 (0.39) USP2LOXL2CHRM5CHKASMN1; SMN2
SCHEMBL3267766 0.78 MAOB (0.59) USP2MAOBSMN1; SMN2CYP3A4PYCR1
SCHEMBL27947483 0.75 SMN1; SMN2 (0.50) LOXL2CHRM5CHKASMN1; SMN2KDM4E
SCHEMBL1602718 0.75 ALDH1A1 (0.56) LOXL2CHRM5CHKASMN1; SMN2KDM4E
SCHEMBL30093206 0.73 KDM4E (0.53) MAOBLOXL2CHRM5CHKASMN1; SMN2
SCHEMBL4739963 0.72 PYCR1 (0.64) SMN1; SMN2CYP3A4PYCR1LMNATSHR
SCHEMBL22928691 0.71 CYP1A2 (0.44) LOXL2CHRM5CHKASMN1; SMN2KDM4E
SCHEMBL12827301 0.71 LOXL2 (0.42) USP2LOXL2CHRM5CHKASMN1; SMN2
SCHEMBL7837873 0.71 LOXL2 (0.42) USP2LOXL2CHRM5CHKASMN1; SMN2
SCHEMBL19688314 0.71 PYCR1 (0.60) USP2MAOBLOXL2HDAC8SMN1; SMN2

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-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed