SCHEMBL8202666

SCHEMBL8202666

NCCc1c[nH]c2c(F)c(C=S)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.55
▸ SLC6A4 P31645 5/20 0.55
▸ HTR2A P28223 7/20 0.47
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ HTR6 P50406 1/20 0.41

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
SCHEMBL30678164 0.81 MPO (0.65) MPOSLC6A4HTR2AMAPTSMN1; SMN2
SCHEMBL2536475 0.81 MPO (0.65) MPOSLC6A4HTR2AMAPTSMN1; SMN2
SCHEMBL2536517 0.77 HTR2A (0.62) MPOSLC6A4HTR2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL21546026 0.76 HTR2A (0.60) MPOSLC6A4HTR2AMAPTSMN1; SMN2
SCHEMBL8202667 0.76 MPO (0.58) MPOSLC6A4HTR2AMAPTSMN1; SMN2
SCHEMBL1968447 0.71 MPO (1.00) MPOSLC6A4HTR2AMAPTSMN1; SMN2
SCHEMBL2535339 0.71 MPO (0.56) MPOSLC6A4HTR2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL23091149 0.70 MPO (0.97) MPOSLC6A4HTR2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL21546063 0.70 MPO (0.54) MPOSLC6A4HTR2AMAPTSMN1; SMN2
SCHEMBL7818210 0.68 HTR2A (0.62) MPOSLC6A4HTR2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090945-A HIGH AFFINITY FOR THE 5-HT1C RECEPTOR. ELI LILLY AND COMPANY (US) 2000-07-18 — — US disclosed
US-5760051-A CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1998-06-02 — — US disclosed
US-5635528-A RECEPTOR BINDING MODULATORS, FOR CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 — — US disclosed
US-5508284-A TREATING 5-HYDROXYTRYPTAMINE MODULATION ELI LILLY AND COMPANY (US) 1996-04-16 — — US disclosed
US-5500431-A ANTISEROTONINE AGENTS; SEXUAL AND EATING DISORDERS ELI LILLY AND COMPANY (US) 1996-03-19 — — US disclosed
WO-1994023720-A1 TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1994-10-27 — — WO disclosed
EP-0620222-A2 Tetrahydro-beta-carbolines ELI LILLY AND COMPANY (US) 1994-10-19 — — EP disclosed
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