SCHEMBL8553678

SCHEMBL8553678

Cc1oc2ccc(N)cc2c1CCN(C)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.45
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
ROCK1 Q13464 1/20 0.42
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 7/20 0.39
LMNA P02545 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
SCHEMBL8547804 0.82 NPC1 (0.41) KDM4EMEN1NPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8553027 0.80 NPC1 (0.40) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL8548549 0.74 HTR1F (0.50) ROCK1SIGMAR1MAPTRAB9ASMN1; SMN2
SCHEMBL21963739 0.72 KMT2A (0.49) ACHETSHRUSP2NPSR1SIGMAR1
SCHEMBL7599299 0.71 CARM1 (0.59) CARM1PRMT6PRMT8ROCK1SIGMAR1
SCHEMBL3148258 0.71 CARM1 (0.59) CARM1PRMT6PRMT8ROCK1SIGMAR1
Hydrochloric Acid SCHEMBL6963204 0.70 MAOB (0.60) CARM1PRMT6PRMT8ROCK1SIGMAR1
SCHEMBL8402960 0.67 SIGMAR1 (0.71) CARM1PRMT6PRMT8TSHRUSP2
SCHEMBL20869695 0.66 SIGMAR1 (0.53) ACHECARM1PRMT6PRMT8SIGMAR1
SCHEMBL3152066 0.65 CARM1 (0.59) ACHECARM1PRMT6PRMT8TSHR

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-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed