SCHEMBL7010845

SCHEMBL7010845

CN1CC=C(c2c[nH]c3ccc(N)nc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
HTR1A P08908 1/20 0.55
ALOX15 P16050 1/20 0.55
HTR6 P50406 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1F P30939 1/20 0.50

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
SCHEMBL7011713 0.87 SLC6A4 (0.60) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7009825 0.84 HTR1F (0.66) KDM4ELMNAHTR1AALOX15HSD17B10
SCHEMBL7011257 0.82 SLC6A4 (0.59) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL3627711 0.81 SLC6A4 (0.64) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL30909151 0.80 HTR1F (0.53) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7095944 0.80 HTR1F (0.53) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7012307 0.79 HTR1A (0.50) KDM4ELMNAHTR1AALOX15HTR1F
SCHEMBL7012793 0.78 HTR1F (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7011156 0.77 GABRP (0.53) HTR6HTR1F
SCHEMBL7479356 0.75 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-0916670-B1 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
US-5998622-A ANALGESICS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5919936-A 5-HT1F AGONIST INTERMEDIATES ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
EP-0916670-A2 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1999-05-19 EP disclosed
US-5905084-A 5-SUBSTITUTED-3-(PIPERIDIN-4-YL)- AND -3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)PYRROLO(3,2-B)PYRIDINES; SIDE EFFECT REDUCTION; NERVOUS SYTEM AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-05-18 US disclosed
US-5817671-A ANTISEROTONIN AGENT; ANALGESICS; MIGRAINE THERAPY; COMPOUND CONTAINING PYRROLO(3,2-B)PYRIDINE RING ELI LILLY AND COMPANY (US) 1998-10-06 US disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed