SCHEMBL14090290

SCHEMBL14090290

CNCCNC(=O)[C@@H](N)Cc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ GPR142 Q7Z601 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL14583982 0.83 GPR142 (0.45) GPR142LMNA
SCHEMBL6248354 0.83 TSHR (0.50) ALDH1A1CYP3A4GPR142AKT1TSHR
SCHEMBL6248350 0.83 TSHR (0.50) ALDH1A1CYP3A4GPR142AKT1TSHR
Hydrochloric Acid SCHEMBL7894482 0.81 TSHR (0.49) ALDH1A1CYP3A4GPR142AKT1TSHR
SCHEMBL14090288 0.80 GRIA1 (0.41) GPR142
SCHEMBL13073337 0.80 SMN1; SMN2 (0.58) ALDH1A1CYP3A4
SCHEMBL13496530 0.77 ALPI (0.51) —
SCHEMBL21010316 0.76 SLC15A1 (0.64) CYP3A4TSHR
SCHEMBL12992547 0.76 HSD17B10 (0.47) ALDH1A1CYP3A4GPR142AKT1TSHR
SCHEMBL14338226 0.76 HSD17B10 (0.47) ALDH1A1CYP3A4GPR142AKT1TSHR

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-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 — — US disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 — — US disclosed
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