SCHEMBL17088142

SCHEMBL17088142

COc1cc(C23CC4CC(CC(C4)C2)C3)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GRM4 Q14833 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 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
SCHEMBL151590 0.71 ALDH1A1 (0.59) POLBHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL602671 0.70 HRH4 (0.63) HRH4HTR6
Hydrochloric Acid SCHEMBL10746200 0.69 ALDH1A1 (0.57) POLBHSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL7746480 0.68 NPC1 (0.45) HRH4SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12044174 0.68 TSHR (0.57) HRH4IDO1TDO2TSHRTP53
SCHEMBL10346683 0.67 SMN1; SMN2 (0.45) HRH4IDO1TDO2TSHRSMN1; SMN2
SCHEMBL4729614 0.66 IDO1 (0.43) HRH4IDO1TDO2SMN1; SMN2GPR55
SCHEMBL6401649 0.66 ALDH1A1 (0.53) HRH4SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL22122037 0.65 ALDH1A1 (0.49) HRH4TSHRHSD17B10ALDH1A1NPC1
SCHEMBL754480 0.64 NUDT1 (0.61) POLBHTTSMN1; SMN2ALDH1A1NPC1

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
US-9139573-B2 Methods and compositions for treating anxiety HYDRA BIOSCIENCES, INC. (US) 2015-09-22 US disclosed
US-9139573-B2 Methods and compositions for treating anxiety HYDRA BIOSCIENCES, INC. (US) 2015-09-22 US disclosed