SCHEMBL9141084

SCHEMBL9141084

Cc1ccn2c(=O)c(CCN3CC4CC(c5ccccc5)C4C3)c(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 10/20 0.51
▸ ADRA2A P08913 10/20 0.51
▸ ADRA2B P18089 10/20 0.51
▸ ADRA2C P18825 10/20 0.51
▸ HTR2A P28223 2/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL8802345 0.91 HTR2A (0.47) ADRA1AADRA2AADRA2BADRA2CHTR2A
SCHEMBL8803688 0.90 HTR1A (0.50) ADRA1AADRA2AADRA2BADRA2CHTR2A
SCHEMBL8804187 0.83 HTR1A (0.48) ADRA1AADRA2AADRA2BADRA2CHTR2A
SCHEMBL8805236 0.83 ACHE (0.58) ADRA1AADRA2AADRA2BADRA2CHTR2A
SCHEMBL8804496 0.82 ADRA2A (0.50) ADRA1AADRA2AADRA2BADRA2CHTR2A
Hydrochloric Acid SCHEMBL8804162 0.82 ACHE (0.57) ADRA1AADRA2AADRA2BADRA2CHTR2A
SCHEMBL8805519 0.81 TDP1 (0.52) ADRA1AADRA2AADRA2BADRA2CHTR2A
SCHEMBL8804273 0.81 ADRA1A (0.44) ADRA1AADRA2AADRA2BADRA2CHTR2A
SCHEMBL8804812 0.78 ADRA2A (0.44) ADRA1AADRA2AADRA2BADRA2CHTR2A
SCHEMBL8803166 0.77 ADRA1A (0.45) ADRA1AADRA2AADRA2BADRA2CHTR2A

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-5475105-A N-substituted azabicycloheptane derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 — — US disclosed
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