SCHEMBL4597102

SCHEMBL4597102

C[C@H](N)CNc1nc2c(s1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PARP1 P09874 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
PRKCI P41743 6/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.39
NFKB1 P19838 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
SCHEMBL6700175 1.00 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2GRM5
Bromide SCHEMBL6703034 0.98 TSHR (0.46) TSHRNPC1RAB9ASMN1; SMN2GRM5
Hydrochloric Acid SCHEMBL6704096 0.98 TSHR (0.46) TSHRNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL6696601 0.92 TSHR (0.47) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12890455 0.76 TSHR (0.54) TSHRNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL2903952 0.76 RAB9A (0.50) TSHRNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL6700167 0.73 TSHR (0.62) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19990184 0.72 TSHR (0.57) TSHRNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL10893635 0.72 APOBEC3A (0.53) TSHRNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL24741297 0.71 RAB9A (0.45) TSHRNPC1RAB9ASMN1; SMN2GRM5

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-1878731-B1 Process for producing pramipexole HELM AG (DE) 2008-08-20 EP disclosed
EP-1878731-A1 Process for producing pramipexole Helm AG (DE) 2008-01-16 EP disclosed