SCHEMBL6601250

SCHEMBL6601250

CC(C)(N)c1ccccc1C1CNCCN1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PARP1 P09874 1/20 0.33
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
Hydrochloric Acid SCHEMBL16136666 0.86 HTR2C (0.37) HTR2CHTR2AHTR2BCHRNB4CHRNA3
SCHEMBL5566775 0.81 HTR2C (0.54) HTR2CHTR2AHTR2BHTR1ASLC6A2
SCHEMBL20139214 0.75 HTR2C (0.50) HTR2CHTR2AHTR2B
SCHEMBL30454496 0.75 HTR2C (0.50) HTR2CHTR2AHTR2B
SCHEMBL20139212 0.75 HTR2C (0.50) HTR2CHTR2AHTR2B
SCHEMBL7332257 0.75 HTR2C (0.50) HTR2CHTR2AHTR2B
SCHEMBL4522448 0.75 GID4 (0.39) HTR2CHTR2AHTR2BPARP1CHRNB4
Hydrochloric Acid SCHEMBL20141129 0.73 HTR2C (0.51) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL20141132 0.73 HTR2C (0.51) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL7326909 0.73 HTR2C (0.51) HTR2CHTR2AHTR2B

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
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 — — EP disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 — — WO disclosed
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