SCHEMBL30454496

SCHEMBL30454496

Cc1ccccc1[C@@H]1CNCCN1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.50
KDM1A O60341 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
TAAR1 Q96RJ0 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL7332257 1.00 HTR2C (0.50) HTR2CKDM1AHTR2AHTR2BTAAR1
SCHEMBL20139214 1.00 HTR2C (0.50) HTR2CKDM1AHTR2AHTR2BTAAR1
SCHEMBL20139212 1.00 HTR2C (0.50) HTR2CKDM1AHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL20141132 0.98 HTR2C (0.51) HTR2CKDM1AHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL7326909 0.98 HTR2C (0.51) HTR2CKDM1AHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL20141129 0.98 HTR2C (0.51) HTR2CKDM1AHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL11553326 0.98 HTR2C (0.51) HTR2CKDM1AHTR2AHTR2BTAAR1
Bicarbonate SCHEMBL11624938 0.92 HTR2C (0.44) HTR2CKDM1AHTR2AHTR2BDDB1
SCHEMBL27529265 0.86 HTR2C (0.53) HTR2CHTR2AHTR2BCA1CA2
Hydrochloric Acid SCHEMBL27666727 0.84 HTR2C (0.54) HTR2CHTR2AHTR2BCA1CA2

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
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed
WO-2023121713-A1 BCL-2 INHIBITORS NEW AVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed