SCHEMBL27909019

SCHEMBL27909019

CCCCc1n[nH]c(N)c1-c1ccc(CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.38
GHSR Q92847 3/20 0.38
TLR8 Q9NR97 1/20 0.38
AKT2 P31751 1/20 0.37
DPP4 P27487 1/20 0.37
MAPK1 P28482 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MLYCD O95822 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL15020484 0.85 DPP4 (0.43) RAB9ANPC1TSHRSMN1; SMN2TP53
SCHEMBL27909094 0.85 HRH3 (0.41) RAB9ANPC1TSHRSMN1; SMN2TP53
SCHEMBL27926884 0.75 AKT2 (0.46) AKT2HRH3ASIC3KMT2A
SCHEMBL14782532 0.69 GAA (0.46) RAB9ANPC1TSHRSMN1; SMN2TP53
SCHEMBL394855 0.68 HTR2A (0.61) SMN1; SMN2TP53LMNAHRH3ALDH1A1
SCHEMBL7323862 0.68 GAA (0.45) RAB9ANPC1TSHRSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL920409 0.66 HTR2A (0.59) SMN1; SMN2TP53LMNAHRH3ALDH1A1
SCHEMBL15257249 0.66 HTR2A (0.64) RAB9ATSHRSMN1; SMN2TP53MAPT
SCHEMBL15257246 0.66 HTR2A (0.64) RAB9ATSHRSMN1; SMN2TP53MAPT
SCHEMBL27637270 0.65 HSD11B1 (0.38) RAB9ANPC1TSHRSMN1; SMN2TP53

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
CN-103153999-B Compounds as cannabinoid receptor-1 inhibitors AMOREPACIFIC CORP. (KR) 2016-06-01 CN disclosed
CN-103153999-A Novel compounds as cannabinoid receptor-1 inhibitors AMOREPACIFIC CORP 2013-06-12 CN disclosed