SCHEMBL6542103

SCHEMBL6542103

COc1ccc(-n2nnnc2C(F)(F)F)cc1CN1CC2CCCN2C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.51

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
SCHEMBL6938549 1.00 TACR1 (0.51) TACR1
SCHEMBL6542096 1.00 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL6541253 0.99 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL6541031 0.99 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL7199185 0.99 TACR1 (0.52) TACR1
Hydrochloric Acid SCHEMBL6541042 0.97 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL6541211 0.93 TACR1 (0.46) TACR1
Hydrochloric Acid SCHEMBL6539947 0.93 TACR1 (0.45) TACR1
Hydrochloric Acid SCHEMBL6541339 0.92 TACR1 (0.48) TACR1
Hydrochloric Acid SCHEMBL6541249 0.91 TACR1 (0.44) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US claimed